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BMS-817378 free base - ≥98%, high purity , CAS No.1174161-69-3

COA

Grade & Purity:

≥98%

Cas Number: 1174161-69-3
Molecular Weight: 578.85
PubChem CID: 44137813

In stock

Item Number

B691641

Grouped product items
SKU	Size	Availability	Price	Qty
B691641-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$183.90
B691641-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$335.90

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Receptor Tyrosine Kinase (1260)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Not available
Direct Parent	Aromatic anilides
Alternative Parents	Phenylpyridines Diarylethers Nicotinamides Phenoxy compounds Phenol ethers Aminopyridines and derivatives Dihydropyridines Monoalkyl phosphates Fluorobenzenes Aryl chlorides Aryl fluorides Imidolactams Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Cyclic ketones Azacyclic compounds Primary amines Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aromatic anilide - 3-phenylpyridine - Diaryl ether - Nicotinamide - Pyridine carboxylic acid or derivatives - Phenoxy compound - Phenol ether - Aminopyridine - Dihydropyridine - Halobenzene - Monoalkyl phosphate - Fluorobenzene - Organic phosphoric acid derivative - Aryl chloride - Imidolactam - Alkyl phosphate - Pyridine - Hydropyridine - Phosphoric acid ester - Aryl halide - Aryl fluoride - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Cyclic ketone - Secondary carboxylic acid amide - Ether - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organooxygen compound - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organonitrogen compound - Organochloride - Organofluoride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	[3-[[4-(2-amino-3-chloropyridin-4-yl)oxy-3-fluorophenyl]carbamoyl]-5-(4-fluorophenyl)-4-oxopyridin-1-yl]methyl dihydrogen phosphate
INCHI	InChI=1S/C24H18ClF2N4O7P/c25-21-20(7-8-29-23(21)28)38-19-6-5-15(9-18(19)27)30-24(33)17-11-31(12-37-39(34,35)36)10-16(22(17)32)13-1-3-14(26)4-2-13/h1-11H,12H2,(H2,28,29)(H,30,33)(H2,34,35,36)
InChIKey	KXDZWUPUSDCGDD-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C2=CN(C=C(C2=O)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F)COP(=O)(O)O)F
Isomeric SMILES	C1=CC(=CC=C1C2=CN(C=C(C2=O)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F)COP(=O)(O)O)F
PubChem CID	44137813
Molecular Weight	578.85

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	578.800 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	8
Exact Mass	578.057 Da
Monoisotopic Mass	578.057 Da
Topological Polar Surface Area	164.000 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	1020.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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