C703-0587 Screening compound: N-benzyl-4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

C703-0587 Screening compound: N-benzyl-4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
C703-0587 Screening compound: N-benzyl-4-[(4-fluorophenyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C703-0587
N-benzyl-4-[(4-fluorophenyl)methyl]-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

C703-0587

Molecular Formula

C21H17FN2OS (C21 H17 FN2 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cc(scc2)c2n1Cc(cc1)ccc1F)NCc1ccccc1

InChI

InChI=1S/C21H17FN2OS/c22-17-8-6-16(7-9-17)14-24-18-10-11-26-20(18)12-19(24)21(25)23-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,23,25)

InChI Key

IKQYAUKXIONRPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05708589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.44

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.725

Distribution Coefficient, logD

4.725

Water Solubility, LogSw

-4.82

Polar Surface Area

26.124

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

C703-0587 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Protein Kinases Inhibitors Library (36801 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:
  • 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 C703-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C703-0587?
Check Price and Availability of C703-0587, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C703-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C703-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C703-0587
  • 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 C703-0587 available by request