1488-0336 Screening compound: N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}-4-methoxybenzamide

1488-0336 Screening compound: N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}-4-methoxybenzamide
1488-0336 Screening compound: N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1488-0336
N-{3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}-4-methoxybenzamide

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

1488-0336

Molecular Formula

C16H14N2O2S (C16 H14 N2 O2 S)

Compound Name

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

IUPAC name

N-{3-cyano-4H5H6H-cyclopenta[b]thiophen-2-yl}-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(Nc(sc1c2CCC1)c2C#N)=O

InChI

InChI=1S/C16H14N2O2S/c1-20-11-7-5-10(6-8-11)15(19)18-16-13(9-17)12-3-2-4-14(12)21-16/h5-8H,2-4H2,1H3,(H,18,19)

InChI Key

BCPIVQSQMPIYNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01011471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.249

Distribution Coefficient, logD

0.926

Water Solubility, LogSw

-3.78

Polar Surface Area

48.011

Acid Dissociation Constant (pKa)

5.08

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

1488-0336 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1488-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1488-0336?
Check Price and Availability of 1488-0336, 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 1488-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1488-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1488-0336
  • 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 1488-0336 available by request