J029-0919 Screening compound: N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}-1-phenylcyclopentane-1-carboxamide

J029-0919 Screening compound: N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}-1-phenylcyclopentane-1-carboxamide
J029-0919 Screening compound: N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}-1-phenylcyclopentane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J029-0919
N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}-1-phenylcyclopentane-1-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

J029-0919

Molecular Formula

C20H20N2OS (C20 H20 N2 OS)

Compound Name

N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}-1-phenylcyclopentane-1-carboxamide

IUPAC name

N-{3-cyano-4H5H6H-cyclopenta[b]thiophen-2-yl}-1-phenylcyclopentane-1-carboxamide

SMILES

N#Cc1c(NC(C2(CCCC2)c2ccccc2)=O)sc2c1CCC2

InChI

InChI=1S/C20H20N2OS/c21-13-16-15-9-6-10-17(15)24-18(16)22-19(23)20(11-4-5-12-20)14-7-2-1-3-8-14/h1-3,7-8H,4-6,9-12H2,(H,22,23)

InChI Key

MOWHFQWDXVUKQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08592940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.487

Distribution Coefficient, logD

1.850

Water Solubility, LogSw

-4.52

Polar Surface Area

40.753

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

J029-0919 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J029-0919 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J029-0919?
Check Price and Availability of J029-0919, 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 J029-0919 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J029-0919
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J029-0919
  • 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 J029-0919 available by request