G281-0620 Screening compound: ethyl 2-[4-({[4-(4-methylphenyl)-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

G281-0620 Screening compound: ethyl 2-[4-({[4-(4-methylphenyl)-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
G281-0620 Screening compound: ethyl 2-[4-({[4-(4-methylphenyl)-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 G281-0620
ethyl 2-[4-({[4-(4-methylphenyl)-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

G281-0620

Molecular Formula

C32H33N3O3S (C32 H33 N3 O3 S)

Compound Name

ethyl 2-[4-({[4-(4-methylphenyl)-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-(4-methylphenyl)-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)C3c1ccc(C)cc1)=O)=O

InChI

InChI=1S/C32H33N3O3S/c1-3-38-29(36)19-22-12-16-24(17-13-22)33-32(37)35-20-26-25-7-4-5-9-28(25)39-31(26)34-18-6-8-27(34)30(35)23-14-10-21(2)11-15-23/h6,8,10-18,30H,3-5,7,9,19-20H2,1-2H3,(H,33,37)/t30-/m0/s1

InChI Key

LIXPNZBHFIUKRA-PMERELPUSA-N

MDL Number (MFCD)

MFCD14993949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.7

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

7.342

Distribution Coefficient, logD

7.342

Water Solubility, LogSw

-5.55

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

31.30

G281-0620 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 G281-0620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-0620?
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What is the minimum amount of G281-0620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-0620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-0620
  • 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 G281-0620 available by request