G281-0952 Screening compound: ethyl 2-[4-({[4-(3-fluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)phenyl]acetate

G281-0952 Screening compound: ethyl 2-[4-({[4-(3-fluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)phenyl]acetate
G281-0952 Screening compound: ethyl 2-[4-({[4-(3-fluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)phenyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G281-0952
ethyl 2-[4-({[4-(3-fluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)phenyl]acetate

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

G281-0952

Molecular Formula

C31H30FN3O3S (C31 H30 FN3 O3 S)

Compound Name

ethyl 2-[4-({[4-(3-fluorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)phenyl]acetate

IUPAC name

ethyl 2-(4-{[7-(3-fluorophenyl)-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene-8-carbonyl]amino}phenyl)acetate

SMILES

CCOC(Cc(cc1)ccc1NC(N(Cc1c(-n2c3ccc2)sc2c1CCCC2)C3c1cc(F)ccc1)=O)=O

InChI

InChI=1S/C31H30FN3O3S/c1-2-38-28(36)17-20-12-14-23(15-13-20)33-31(37)35-19-25-24-9-3-4-11-27(24)39-30(25)34-16-6-10-26(34)29(35)21-7-5-8-22(32)18-21/h5-8,10,12-16,18,29H,2-4,9,11,17,19H2,1H3,(H,33,37)/t29-/m0/s1

InChI Key

XSBPPQGJORTUEP-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD14994099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.005

Distribution Coefficient, logD

7.005

Water Solubility, LogSw

-5.64

Polar Surface Area

47.102

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.00

G281-0952 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 G281-0952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-0952?
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What is the minimum amount of G281-0952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-0952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-0952
  • 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 G281-0952 available by request