C703-0053 Screening compound: ethyl 3-({[4-(4-methylbenzyl)-4H-thieno[3,2-b]pyrrol-5-yl]carbonyl}amino)benzoate

C703-0053 Screening compound: ethyl 3-({[4-(4-methylbenzyl)-4H-thieno[3,2-b]pyrrol-5-yl]carbonyl}amino)benzoate
C703-0053 Screening compound: ethyl 3-({[4-(4-methylbenzyl)-4H-thieno[3,2-b]pyrrol-5-yl]carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C703-0053
ethyl 3-({[4-(4-methylbenzyl)-4H-thieno[3,2-b]pyrrol-5-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

C703-0053

Molecular Formula

C24H22N2O3S (C24 H22 N2 O3 S)

Compound Name

ethyl 3-({[4-(4-methylbenzyl)-4H-thieno[3,2-b]pyrrol-5-yl]carbonyl}amino)benzoate

IUPAC name

ethyl 3-{4-[(4-methylphenyl)methyl]-4H-thieno[32-b]pyrrole-5-amido}benzoate

SMILES

CCOC(c1cccc(NC(c2cc(scc3)c3n2Cc2ccc(C)cc2)=O)c1)=O

InChI

InChI=1S/C24H22N2O3S/c1-3-29-24(28)18-5-4-6-19(13-18)25-23(27)21-14-22-20(11-12-30-22)26(21)15-17-9-7-16(2)8-10-17/h4-14H,3,15H2,1-2H3,(H,25,27)

InChI Key

NSIHJFFSCZZREB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.158

Distribution Coefficient, logD

6.158

Water Solubility, LogSw

-5.43

Polar Surface Area

45.556

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

C703-0053 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C703-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C703-0053?
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What is the minimum amount of C703-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C703-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C703-0053
  • 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 C703-0053 available by request