3453-2304 Screening compound: (2E)-3-[4-(benzyloxy)phenyl]-2-cyano-N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}prop-2-enamide

3453-2304 Screening compound: (2E)-3-[4-(benzyloxy)phenyl]-2-cyano-N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}prop-2-enamide
3453-2304 Screening compound: (2E)-3-[4-(benzyloxy)phenyl]-2-cyano-N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-2304
(2E)-3-[4-(benzyloxy)phenyl]-2-cyano-N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-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

3453-2304

Molecular Formula

C28H23N3O2S (C28 H23 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(Cc2cnc(NC(/C(/C#N)=C/c(cc3)ccc3OCc3ccccc3)=O)s2)cc1

InChI

InChI=1S/C28H23N3O2S/c1-20-7-9-22(10-8-20)16-26-18-30-28(34-26)31-27(32)24(17-29)15-21-11-13-25(14-12-21)33-19-23-5-3-2-4-6-23/h2-15,18H,16,19H2,1H3,(H,30,31,32)

InChI Key

JNOVSMVJOFZUDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02328092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.832

Distribution Coefficient, logD

6.321

Water Solubility, LogSw

-5.58

Polar Surface Area

57.910

Acid Dissociation Constant (pKa)

7.05

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

3453-2304 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Lipid Metabolism Library (9174 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3453-2304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-2304?
Check Price and Availability of 3453-2304, 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 3453-2304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-2304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-2304
  • 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 3453-2304 available by request