G281-1940 Screening compound: 4-(4-chlorophenyl)-N~5~-isopentyl-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G281-1940 Screening compound: 4-(4-chlorophenyl)-N~5~-isopentyl-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G281-1940 Screening compound: 4-(4-chlorophenyl)-N~5~-isopentyl-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G281-1940
4-(4-chlorophenyl)-N~5~-isopentyl-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-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

G281-1940

Molecular Formula

C26H31ClN4OS (C26 H31 ClN4 OS)

Compound Name

4-(4-chlorophenyl)-N~5~-isopentyl-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

IUPAC name

7-(4-chlorophenyl)-14-methyl-N-(3-methylbutyl)-17-thia-2814-triazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carboxamide

SMILES

CC(C)CCNC(N(Cc1c(-n2c3ccc2)sc2c1CCN(C)C2)C3c(cc1)ccc1Cl)=O

InChI

InChI=1S/C26H31ClN4OS/c1-17(2)10-12-28-26(32)31-15-21-20-11-14-29(3)16-23(20)33-25(21)30-13-4-5-22(30)24(31)18-6-8-19(27)9-7-18/h4-9,13,17,24H,10-12,14-16H2,1-3H3,(H,28,32)/t24-/m1/s1

InChI Key

DICBSWQELCUFTK-XMMPIXPASA-N

MDL Number (MFCD)

MFCD27212611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.08

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.380

Distribution Coefficient, logD

4.616

Water Solubility, LogSw

-6.44

Polar Surface Area

31.788

Acid Dissociation Constant (pKa)

16.46

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

G281-1940 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with G281-1940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-1940?
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What is the minimum amount of G281-1940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-1940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-1940
  • 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 G281-1940 available by request