2425-4407 Screening compound: (2E)-3-({3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)prop-2-enoic acid

2425-4407 Screening compound: (2E)-3-({3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)prop-2-enoic acid
2425-4407 Screening compound: (2E)-3-({3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2425-4407
(2E)-3-({3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)prop-2-enoic acid

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

2425-4407

Molecular Formula

C12H10N2O3S (C12 H10 N2 O3 S)

Compound Name

(2E)-3-({3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)prop-2-enoic acid

IUPAC name

(2E)-3-({3-cyano-4H5H6H-cyclopenta[b]thiophen-2-yl}carbamoyl)prop-2-enoic acid

SMILES

N#Cc1c(NC(/C=C/C(O)=O)=O)sc2c1CCC2

InChI

InChI=1S/C12H10N2O3S/c13-6-8-7-2-1-3-9(7)18-12(8)14-10(15)4-5-11(16)17/h4-5H,1-3H2,(H,14,15)(H,16,17)

InChI Key

PIAPFXCCTUKVIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01119682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.887

Distribution Coefficient, logD

-2.571

Water Solubility, LogSw

-2.43

Polar Surface Area

68.909

Acid Dissociation Constant (pKa)

2.94

Base Dissociation Constant (pKb)

-3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

2425-4407 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2425-4407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2425-4407?
Check Price and Availability of 2425-4407, 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 2425-4407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2425-4407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2425-4407
  • 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 2425-4407 available by request