G281-0517 Screening compound: ethyl 2-({[4-phenyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)benzoate

G281-0517 Screening compound: ethyl 2-({[4-phenyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)benzoate
G281-0517 Screening compound: ethyl 2-({[4-phenyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G281-0517
ethyl 2-({[4-phenyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]carbonyl}amino)benzoate

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

G281-0517

Molecular Formula

C30H29N3O3S (C30 H29 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cccc1)c1NC(N(Cc1c(-n2c3ccc2)sc2c1CCCC2)C3c1ccccc1)=O)=O

InChI

InChI=1S/C30H29N3O3S/c1-2-36-29(34)22-14-6-8-15-24(22)31-30(35)33-19-23-21-13-7-9-17-26(21)37-28(23)32-18-10-16-25(32)27(33)20-11-4-3-5-12-20/h3-6,8,10-12,14-16,18,27H,2,7,9,13,17,19H2,1H3,(H,31,35)/t27-/m0/s1

InChI Key

PFTKFSKFIVNHQT-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14993891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.532

Distribution Coefficient, logD

7.532

Water Solubility, LogSw

-5.71

Polar Surface Area

46.999

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

G281-0517 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 G281-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G281-0517?
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What is the minimum amount of G281-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G281-0517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G281-0517
  • 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 G281-0517 available by request