8170-0531 Screening compound: 2-[(2E)-3-(furan-2-yl)prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

8170-0531 Screening compound: 2-[(2E)-3-(furan-2-yl)prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
8170-0531 Screening compound: 2-[(2E)-3-(furan-2-yl)prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8170-0531
2-[(2E)-3-(furan-2-yl)prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-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

8170-0531

Molecular Formula

C15H14N2O3S (C15 H14 N2 O3 S)

Compound Name

2-[(2E)-3-(furan-2-yl)prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

IUPAC name

2-[(2E)-3-(furan-2-yl)prop-2-enamido]-4H5H6H-cyclopenta[b]thiophene-3-carboxamide

SMILES

NC(c1c(NC(/C=C/c2ccco2)=O)sc2c1CCC2)=O

InChI

InChI=1S/C15H14N2O3S/c16-14(19)13-10-4-1-5-11(10)21-15(13)17-12(18)7-6-9-3-2-8-20-9/h2-3,6-8H,1,4-5H2,(H2,16,19)(H,17,18)

InChI Key

XESSXANVPYXNNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04095851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.513

Distribution Coefficient, logD

1.135

Water Solubility, LogSw

-2.11

Polar Surface Area

65.005

Acid Dissociation Constant (pKa)

7.26

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8170-0531 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8170-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8170-0531?
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What is the minimum amount of 8170-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8170-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8170-0531
  • 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 8170-0531 available by request