C703-0646 Screening compound: 4-[(4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

C703-0646 Screening compound: 4-[(4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
C703-0646 Screening compound: 4-[(4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C703-0646
4-[(4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

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

C703-0646

Molecular Formula

C23H21FN2OS (C23 H21 FN2 OS)

Compound Name

4-[(4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

IUPAC name

4-[(4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-4H-thieno[32-b]pyrrole-5-carboxamide

SMILES

Cc1ccc(CCNC(c2cc(scc3)c3n2Cc(cc2)ccc2F)=O)cc1

InChI

InChI=1S/C23H21FN2OS/c1-16-2-4-17(5-3-16)10-12-25-23(27)21-14-22-20(11-13-28-22)26(21)15-18-6-8-19(24)9-7-18/h2-9,11,13-14H,10,12,15H2,1H3,(H,25,27)

InChI Key

MVPJUQANQDIJQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14786246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.082

Distribution Coefficient, logD

5.082

Water Solubility, LogSw

-4.86

Polar Surface Area

25.966

Acid Dissociation Constant (pKa)

13.77

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C703-0646 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C703-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C703-0646?
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What is the minimum amount of C703-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C703-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C703-0646
  • 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 C703-0646 available by request