3236-0052 Screening compound: (2E)-2-cyano-N-[(furan-2-yl)methyl]-3-(3-methylthiophen-2-yl)prop-2-enamide

3236-0052 Screening compound: (2E)-2-cyano-N-[(furan-2-yl)methyl]-3-(3-methylthiophen-2-yl)prop-2-enamide
3236-0052 Screening compound: (2E)-2-cyano-N-[(furan-2-yl)methyl]-3-(3-methylthiophen-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3236-0052
(2E)-2-cyano-N-[(furan-2-yl)methyl]-3-(3-methylthiophen-2-yl)prop-2-enamide

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

3236-0052

Molecular Formula

C14H12N2O2S (C14 H12 N2 O2 S)

Compound Name

(2E)-2-cyano-N-[(furan-2-yl)methyl]-3-(3-methylthiophen-2-yl)prop-2-enamide

IUPAC name

(2E)-2-cyano-N-[(furan-2-yl)methyl]-3-(3-methylthiophen-2-yl)prop-2-enamide

SMILES

Cc1c(/C=C(/C(NCc2ccco2)=O)\C#N)scc1

InChI

InChI=1S/C14H12N2O2S/c1-10-4-6-19-13(10)7-11(8-15)14(17)16-9-12-3-2-5-18-12/h2-7H,9H2,1H3,(H,16,17)

InChI Key

SRNCUIYFSWLQBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02045412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.982

Distribution Coefficient, logD

2.982

Water Solubility, LogSw

-3.18

Polar Surface Area

50.475

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

3236-0052 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 3236-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3236-0052?
Check Price and Availability of 3236-0052, 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 3236-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3236-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3236-0052
  • 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 3236-0052 available by request