G281-0710 Screening compound: N~5~-(3-fluoro-4-methylphenyl)-4-(4-methoxyphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide

G281-0710 Screening compound: N~5~-(3-fluoro-4-methylphenyl)-4-(4-methoxyphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
G281-0710 Screening compound: N~5~-(3-fluoro-4-methylphenyl)-4-(4-methoxyphenyl)-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 G281-0710
N~5~-(3-fluoro-4-methylphenyl)-4-(4-methoxyphenyl)-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

G281-0710

Molecular Formula

C29H28FN3O2S (C29 H28 FN3 O2 S)

Compound Name

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

IUPAC name

N-(3-fluoro-4-methylphenyl)-7-(4-methoxyphenyl)-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carboxamide

SMILES

Cc(ccc(NC(N(Cc1c(-n2c3ccc2)sc2c1CCCC2)C3c(cc1)ccc1OC)=O)c1)c1F

InChI

InChI=1S/C29H28FN3O2S/c1-18-9-12-20(16-24(18)30)31-29(34)33-17-23-22-6-3-4-8-26(22)36-28(23)32-15-5-7-25(32)27(33)19-10-13-21(35-2)14-11-19/h5,7,9-16,27H,3-4,6,8,17H2,1-2H3,(H,31,34)/t27-/m0/s1

InChI Key

BWFLENPHOJWUOF-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14994009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.62

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.496

Distribution Coefficient, logD

7.496

Water Solubility, LogSw

-5.61

Polar Surface Area

34.487

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

G281-0710 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 G281-0710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-0710?
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What is the minimum amount of G281-0710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-0710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-0710
  • 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 G281-0710 available by request