3453-2296 Screening compound: (2E)-2-cyano-N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}-3-phenylprop-2-enamide

3453-2296 Screening compound: (2E)-2-cyano-N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}-3-phenylprop-2-enamide
3453-2296 Screening compound: (2E)-2-cyano-N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-2296
(2E)-2-cyano-N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}-3-phenylprop-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

3453-2296

Molecular Formula

C21H17N3OS (C21 H17 N3 OS)

Compound Name

(2E)-2-cyano-N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}-3-phenylprop-2-enamide

IUPAC name

(2E)-2-cyano-N-{5-[(4-methylphenyl)methyl]-13-thiazol-2-yl}-3-phenylprop-2-enamide

SMILES

Cc1ccc(Cc2cnc(NC(/C(/C#N)=C/c3ccccc3)=O)s2)cc1

InChI

InChI=1S/C21H17N3OS/c1-15-7-9-17(10-8-15)12-19-14-23-21(26-19)24-20(25)18(13-22)11-16-5-3-2-4-6-16/h2-11,14H,12H2,1H3,(H,23,24,25)

InChI Key

UHOPDRUVCMSHHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01056788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.422

Distribution Coefficient, logD

4.911

Water Solubility, LogSw

-5.27

Polar Surface Area

50.682

Acid Dissociation Constant (pKa)

7.05

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

3453-2296 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 3453-2296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-2296?
Check Price and Availability of 3453-2296, 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 3453-2296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-2296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-2296
  • 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 3453-2296 available by request