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L-740093 , CAS No.154967-59-6, Antagonist of CCK 1 receptor;Antagonist of CCK 2 receptor

COA

Grade & Purity:

Moligand™

Cas Number: 154967-59-6
PubChem CID: 132980

In stock

Item Number

L611408

Grouped product items
SKU	Size	Availability	Price	Qty
L611408-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$300.90
L611408-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$941.90

View related series

CCK1 receptor Antagonist (22) CCK2 receptor Antagonist (29) Class A GPCR (4138)

Basic Description

Synonyms	1-[(R)-5-(3-Aza-bicyclo[3.2.2]non-3-yl)-1-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-3-m-tolyl-urea \| N-((3R)-5-(3-AZABICYCLO(3.2.2)NON-3-YL)-2,3-DIHYDRO-1-METHYL-2-OXO-1H-1,4-BENZODIAZEPIN-3-YL)-N'-(3-METHYLPHENYL)UREA \| UREA, N-((3R)-5-(3-A
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of CCK 1 receptor;Antagonist of CCK 2 receptor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzodiazepines
    - Subclass 1,4-benzodiazepines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzodiazepines
Subclass	1,4-benzodiazepines
Intermediate Tree Nodes	Not available
Direct Parent	1,4-benzodiazepines
Alternative Parents	Alpha amino acids and derivatives N-phenylureas Toluenes Azepanes Imidolactams Tertiary carboxylic acid amides Ureas Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxamidines Carboximidamides Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,4-benzodiazepine - Alpha-amino acid or derivatives - N-phenylurea - Azepane - Toluene - Monocyclic benzene moiety - Benzenoid - Imidolactam - Tertiary carboxylic acid amide - Urea - Carboxamide group - Carbonic acid derivative - Lactam - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboximidamide - Organic 1,3-dipolar compound - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
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(Human)

CCKAR Tclin Cholecystokinin receptor type A (1 Activities)

Discover Target: CCKAR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CCKBR Tclin Gastrin/cholecystokinin type B receptor (3 Activities)

Discover Target: CCKBR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

IUPAC Name	1-[(3R)-5-(3-azabicyclo[3.2.2]nonan-3-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
INCHI	InChI=1S/C26H31N5O2/c1-17-6-5-7-20(14-17)27-26(33)29-23-25(32)30(2)22-9-4-3-8-21(22)24(28-23)31-15-18-10-11-19(16-31)13-12-18/h3-9,14,18-19,23H,10-13,15-16H2,1-2H3,(H2,27,29,33)/t18?,19?,23-/m0/s1
InChIKey	QYERABWMFRRINX-XWEVFREBSA-N
Smiles	Cc1cccc(c1)NC(=O)N[C@@H]1N=C(N2CC3CCC(C2)CC3)c2c(N(C1=O)C)cccc2
Isomeric SMILES	CC1=CC(=CC=C1)NC(=O)N[C@H]2C(=O)N(C3=CC=CC=C3C(=N2)N4CC5CCC(C4)CC5)C
PubChem CID	132980

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	445.600 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	445.248 Da
Monoisotopic Mass	445.248 Da
Topological Polar Surface Area	77.000 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	748.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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