G281-1014 Screening compound: 4-(3-chlorophenyl)-N~5~-(2,5-dimethoxyphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G281-1014 Screening compound: 4-(3-chlorophenyl)-N~5~-(2,5-dimethoxyphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G281-1014 Screening compound: 4-(3-chlorophenyl)-N~5~-(2,5-dimethoxyphenyl)-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 G281-1014
4-(3-chlorophenyl)-N~5~-(2,5-dimethoxyphenyl)-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

G281-1014

Molecular Formula

C29H28ClN3O3S (C29 H28 ClN3 O3 S)

Compound Name

4-(3-chlorophenyl)-N~5~-(2,5-dimethoxyphenyl)-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-(25-dimethoxyphenyl)-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carboxamide

SMILES

COc(cc1)cc(NC(N(Cc2c(-n3c4ccc3)sc3c2CCCC3)C4c2cccc(Cl)c2)=O)c1OC

InChI

InChI=1S/C29H28ClN3O3S/c1-35-20-12-13-25(36-2)23(16-20)31-29(34)33-17-22-21-9-3-4-11-26(21)37-28(22)32-14-6-10-24(32)27(33)18-7-5-8-19(30)15-18/h5-8,10,12-16,27H,3-4,9,11,17H2,1-2H3,(H,31,34)/t27-/m1/s1

InChI Key

LJXNOAOXQTXXPP-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD14994125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.08

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

7.546

Distribution Coefficient, logD

7.546

Water Solubility, LogSw

-6.38

Polar Surface Area

41.420

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

G281-1014 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 G281-1014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-1014?
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What is the minimum amount of G281-1014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-1014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-1014
  • 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 G281-1014 available by request