G281-1017 Screening compound: 4-(3-chlorophenyl)-N~5~-(2-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G281-1017 Screening compound: 4-(3-chlorophenyl)-N~5~-(2-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G281-1017 Screening compound: 4-(3-chlorophenyl)-N~5~-(2-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G281-1017
4-(3-chlorophenyl)-N~5~-(2-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[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

G281-1017

Molecular Formula

C28H26ClN3OS (C28 H26 ClN3 OS)

Compound Name

4-(3-chlorophenyl)-N~5~-(2-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

IUPAC name

7-(3-chlorophenyl)-N-(2-methylphenyl)-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carboxamide

SMILES

Cc(cccc1)c1NC(N(Cc1c(-n2c3ccc2)sc2c1CCCC2)C3c1cccc(Cl)c1)=O

InChI

InChI=1S/C28H26ClN3OS/c1-18-8-2-4-12-23(18)30-28(33)32-17-22-21-11-3-5-14-25(21)34-27(22)31-15-7-13-24(31)26(32)19-9-6-10-20(29)16-19/h2,4,6-10,12-13,15-16,26H,3,5,11,14,17H2,1H3,(H,30,33)/t26-/m1/s1

InChI Key

DJPDCHGFEXVPAV-AREMUKBSSA-N

MDL Number (MFCD)

MFCD14994128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.05

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

7.658

Distribution Coefficient, logD

7.658

Water Solubility, LogSw

-6.25

Polar Surface Area

26.245

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

G281-1017 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 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 G281-1017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-1017?
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What is the minimum amount of G281-1017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-1017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-1017
  • 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 G281-1017 available by request