G118-0177 Screening compound: 4-(4-chlorophenyl)-N~5~-(2-methoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

G118-0177 Screening compound: 4-(4-chlorophenyl)-N~5~-(2-methoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
G118-0177 Screening compound: 4-(4-chlorophenyl)-N~5~-(2-methoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G118-0177
4-(4-chlorophenyl)-N~5~-(2-methoxyphenyl)-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

G118-0177

Molecular Formula

C26H22ClN3O2 (C26 H22 ClN3 O2)

Compound Name

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

IUPAC name

7-(4-chlorophenyl)-N-(2-methoxyphenyl)-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(10)351113-pentaene-8-carboxamide

SMILES

COc(cccc1)c1NC(N(Cc(cccc1)c1-n1c2ccc1)C2c(cc1)ccc1Cl)=O

InChI

InChI=1S/C26H22ClN3O2/c1-32-24-11-5-3-8-21(24)28-26(31)30-17-19-7-2-4-9-22(19)29-16-6-10-23(29)25(30)18-12-14-20(27)15-13-18/h2-16,25H,17H2,1H3,(H,28,31)/t25-/m1/s1

InChI Key

FDEHIBKZQVSSSP-RUZDIDTESA-N

MDL Number (MFCD)

MFCD27209514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.93

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.504

Distribution Coefficient, logD

6.504

Water Solubility, LogSw

-6.47

Polar Surface Area

33.504

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

G118-0177 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 G118-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G118-0177?
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What is the minimum amount of G118-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G118-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G118-0177
  • 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 G118-0177 available by request