G118-1491 Screening compound: N~5~-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

G118-1491 Screening compound: N~5~-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
G118-1491 Screening compound: N~5~-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G118-1491
N~5~-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G118-1491

Molecular Formula

C27H24ClN3O3 (C27 H24 ClN3 O3)

Compound Name

N~5~-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

IUPAC name

N-(3-chlorophenyl)-7-(34-dimethoxyphenyl)-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(10)351113-pentaene-8-carboxamide

SMILES

COc(ccc(C(c1cccn1-c1c(C2)cccc1)N2C(Nc1cccc(Cl)c1)=O)c1)c1OC

InChI

InChI=1S/C27H24ClN3O3/c1-33-24-13-12-18(15-25(24)34-2)26-23-11-6-14-30(23)22-10-4-3-7-19(22)17-31(26)27(32)29-21-9-5-8-20(28)16-21/h3-16,26H,17H2,1-2H3,(H,29,32)/t26-/m1/s1

InChI Key

VJVIWBLZGKXDFF-AREMUKBSSA-N

MDL Number (MFCD)

MFCD14981502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.96

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.177

Distribution Coefficient, logD

6.177

Water Solubility, LogSw

-6.27

Polar Surface Area

41.832

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

G118-1491 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G118-1491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G118-1491?
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What is the minimum amount of G118-1491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G118-1491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G118-1491
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G118-1491 available by request