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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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D609894-5mg
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5mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$1,400.90
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D609894-25mg
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25mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$2,000.90
|
|
| Synonyms | Dilazep [INN] | D07843 | NCGC00016747-05 | Q5276700 | SR-01000075817-3 | F8KLC2BD5Z | NCGC00016747-01 | NCGC00016747-02 | Prestwick3_000236 | 1,4-Bis(3,4,5-trimethoxybenzyloxy)propyl)perhydro-1,4-diazepin | BDBM50017691 | Lopac0_000369 | BPBio1_000343 | D |
|---|---|
| Specifications & Purity | Moligand™ |
| Grade | Moligand™ |
| Action Type | INHIBITOR |
| Mechanism of action | Inhibitor of Equilibrative nucleoside transporter 1 |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Hydroxybenzoic acid derivatives |
| Direct Parent | Gallic acid and derivatives |
| Alternative Parents | P-methoxybenzoic acids and derivatives M-methoxybenzoic acids and derivatives Benzoic acid esters Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles 1,4-diazepanes Alkyl aryl ethers Dicarboxylic acids and derivatives Trialkylamines Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoate ester - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Methoxybenzene - 1,4-diazepane - Alkyl aryl ether - Diazepane - Dicarboxylic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety. |
| External Descriptors | Not available |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| IUPAC Name | 3-{4-[3-(3,4,5-trimethoxybenzoyloxy)propyl]-1,4-diazepan-1-yl}propyl 3,4,5-trimethoxybenzoate |
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| INCHI | InChI=1S/C31H44N2O10/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4/h18-21H,7-17H2,1-6H3 |
| InChIKey | QVZCXCJXTMIDME-UHFFFAOYSA-N |
| Smiles | COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC |
| Isomeric SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCCCN2CCCN(CC2)CCCOC(=O)C3=CC(=C(C(=C3)OC)OC)OC |
| PubChem CID | 3074 |
| Molecular Weight | 604.700 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 18 |
| Exact Mass | 604.3 Da |
| Monoisotopic Mass | 604.3 Da |
| Topological Polar Surface Area | 114.000 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 727.000 |
| 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 |