G281-0464 Screening compound: N~5~-(2,4-dimethoxyphenyl)-4-[4-(dimethylamino)phenyl]-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G281-0464 Screening compound: N~5~-(2,4-dimethoxyphenyl)-4-[4-(dimethylamino)phenyl]-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G281-0464 Screening compound: N~5~-(2,4-dimethoxyphenyl)-4-[4-(dimethylamino)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 G281-0464
N~5~-(2,4-dimethoxyphenyl)-4-[4-(dimethylamino)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

G281-0464

Molecular Formula

C31H34N4O3S (C31 H34 N4 O3 S)

Compound Name

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

IUPAC name

N-(24-dimethoxyphenyl)-7-[4-(dimethylamino)phenyl]-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carboxamide

SMILES

CN(C)c1ccc(C(c2cccn2-c2c(C3)c(CCCC4)c4s2)N3C(Nc(ccc(OC)c2)c2OC)=O)cc1

InChI

InChI=1S/C31H34N4O3S/c1-33(2)21-13-11-20(12-14-21)29-26-9-7-17-34(26)30-24(23-8-5-6-10-28(23)39-30)19-35(29)31(36)32-25-16-15-22(37-3)18-27(25)38-4/h7,9,11-18,29H,5-6,8,10,19H2,1-4H3,(H,32,36)/t29-/m0/s1

InChI Key

OXPQAOAXFWCLPF-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD14993867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.7

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.095

Distribution Coefficient, logD

7.082

Water Solubility, LogSw

-5.65

Polar Surface Area

44.224

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

5.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

G281-0464 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 G281-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-0464?
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What is the minimum amount of G281-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-0464
  • 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 G281-0464 available by request