C703-0611 Screening compound: ethyl 3-({[4-(4-fluorobenzyl)-4H-thieno[3,2-b]pyrrol-5-yl]carbonyl}amino)benzoate

C703-0611 Screening compound: ethyl 3-({[4-(4-fluorobenzyl)-4H-thieno[3,2-b]pyrrol-5-yl]carbonyl}amino)benzoate
C703-0611 Screening compound: ethyl 3-({[4-(4-fluorobenzyl)-4H-thieno[3,2-b]pyrrol-5-yl]carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C703-0611
ethyl 3-({[4-(4-fluorobenzyl)-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

C703-0611

Molecular Formula

C23H19FN2O3S (C23 H19 FN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1cccc(NC(c2cc(scc3)c3n2Cc(cc2)ccc2F)=O)c1)=O

InChI

InChI=1S/C23H19FN2O3S/c1-2-29-23(28)16-4-3-5-18(12-16)25-22(27)20-13-21-19(10-11-30-21)26(20)14-15-6-8-17(24)9-7-15/h3-13H,2,14H2,1H3,(H,25,27)

InChI Key

LXXNFYYNWXFRMZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

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

5.764

Distribution Coefficient, logD

5.763

Water Solubility, LogSw

-5.51

Polar Surface Area

45.556

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.04

C703-0611 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

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 C703-0611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C703-0611?
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What is the minimum amount of C703-0611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C703-0611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C703-0611
  • 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 C703-0611 available by request