G281-0224 Screening compound: 4-(4-ethoxyphenyl)-N~5~-[3-(methylsulfanyl)phenyl]-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G281-0224 Screening compound: 4-(4-ethoxyphenyl)-N~5~-[3-(methylsulfanyl)phenyl]-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G281-0224 Screening compound: 4-(4-ethoxyphenyl)-N~5~-[3-(methylsulfanyl)phenyl]-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 G281-0224
4-(4-ethoxyphenyl)-N~5~-[3-(methylsulfanyl)phenyl]-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

G281-0224

Molecular Formula

C30H31N3O2S2 (C30 H31 N3 O2 S2)

Compound Name

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

IUPAC name

7-(4-ethoxyphenyl)-N-[3-(methylsulfanyl)phenyl]-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(SC)ccc2)=O)cc1

InChI

InChI=1S/C30H31N3O2S2/c1-3-35-22-15-13-20(14-16-22)28-26-11-7-17-32(26)29-25(24-10-4-5-12-27(24)37-29)19-33(28)30(34)31-21-8-6-9-23(18-21)36-2/h6-9,11,13-18,28H,3-5,10,12,19H2,1-2H3,(H,31,34)/t28-/m0/s1

InChI Key

ZUVRORFUFIVOGY-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD14993791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.73

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.694

Distribution Coefficient, logD

7.694

Water Solubility, LogSw

-5.65

Polar Surface Area

34.067

Acid Dissociation Constant (pKa)

14.60

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

G281-0224 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 G281-0224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-0224?
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What is the minimum amount of G281-0224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-0224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-0224
  • 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 G281-0224 available by request