G118-2004 Screening compound: 4-(2-chlorophenyl)-N~5~-(5,6,7,8-tetrahydro-1-naphthalenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

G118-2004 Screening compound: 4-(2-chlorophenyl)-N~5~-(5,6,7,8-tetrahydro-1-naphthalenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
G118-2004 Screening compound: 4-(2-chlorophenyl)-N~5~-(5,6,7,8-tetrahydro-1-naphthalenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G118-2004
4-(2-chlorophenyl)-N~5~-(5,6,7,8-tetrahydro-1-naphthalenyl)-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

G118-2004

Molecular Formula

C29H26ClN3O (C29 H26 ClN3 O)

Compound Name

4-(2-chlorophenyl)-N~5~-(5,6,7,8-tetrahydro-1-naphthalenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

IUPAC name

7-(2-chlorophenyl)-N-(5678-tetrahydronaphthalen-1-yl)-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(10)351113-pentaene-8-carboxamide

SMILES

O=C(Nc1c(CCCC2)c2ccc1)N(Cc(cccc1)c1-n1c2ccc1)C2c(cccc1)c1Cl

InChI

InChI=1S/C29H26ClN3O/c30-24-14-5-4-13-23(24)28-27-17-8-18-32(27)26-16-6-2-10-21(26)19-33(28)29(34)31-25-15-7-11-20-9-1-3-12-22(20)25/h2,4-8,10-11,13-18,28H,1,3,9,12,19H2,(H,31,34)/t28-/m1/s1

InChI Key

QZIDCUOPQMOQQB-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD14981714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.770

Distribution Coefficient, logD

7.770

Water Solubility, LogSw

-6.52

Polar Surface Area

25.794

Acid Dissociation Constant (pKa)

15.40

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

G118-2004 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 G118-2004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G118-2004?
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What is the minimum amount of G118-2004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G118-2004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G118-2004
  • 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 G118-2004 available by request