G281-0178 Screening compound: N~5~-(3,4-dimethylphenyl)-4-(4-ethoxyphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G281-0178 Screening compound: N~5~-(3,4-dimethylphenyl)-4-(4-ethoxyphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G281-0178 Screening compound: N~5~-(3,4-dimethylphenyl)-4-(4-ethoxyphenyl)-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 G281-0178
N~5~-(3,4-dimethylphenyl)-4-(4-ethoxyphenyl)-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

G281-0178

Molecular Formula

C31H33N3O2S (C31 H33 N3 O2 S)

Compound Name

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

IUPAC name

N-(34-dimethylphenyl)-7-(4-ethoxyphenyl)-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carboxamide

SMILES

CCOc1ccc(C(c2cccn2-c2c(C3)c(CCCC4)c4s2)N3C(Nc2cc(C)c(C)cc2)=O)cc1

InChI

InChI=1S/C31H33N3O2S/c1-4-36-24-15-12-22(13-16-24)29-27-9-7-17-33(27)30-26(25-8-5-6-10-28(25)37-30)19-34(29)31(35)32-23-14-11-20(2)21(3)18-23/h7,9,11-18,29H,4-6,8,10,19H2,1-3H3,(H,32,35)/t29-/m0/s1

InChI Key

BTPKTDQWWCAPDA-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD14993768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.69

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

8.220

Distribution Coefficient, logD

8.220

Water Solubility, LogSw

-5.56

Polar Surface Area

34.067

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

G281-0178 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 G281-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-0178?
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What is the minimum amount of G281-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-0178
  • 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 G281-0178 available by request