3643-3302 Screening compound: ethyl 2-[(2E)-2-cyano-3-phenylprop-2-enamido]-4-methyl-1,3-thiazole-5-carboxylate

3643-3302 Screening compound: ethyl 2-[(2E)-2-cyano-3-phenylprop-2-enamido]-4-methyl-1,3-thiazole-5-carboxylate
3643-3302 Screening compound: ethyl 2-[(2E)-2-cyano-3-phenylprop-2-enamido]-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-3302
ethyl 2-[(2E)-2-cyano-3-phenylprop-2-enamido]-4-methyl-1,3-thiazole-5-carboxylate

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

3643-3302

Molecular Formula

C17H15N3O3S (C17 H15 N3 O3 S)

Compound Name

ethyl 2-[(2E)-2-cyano-3-phenylprop-2-enamido]-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 2-[(2E)-2-cyano-3-phenylprop-2-enamido]-4-methyl-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(C)nc(NC(/C(/C#N)=C/c2ccccc2)=O)s1)=O

InChI

InChI=1S/C17H15N3O3S/c1-3-23-16(22)14-11(2)19-17(24-14)20-15(21)13(10-18)9-12-7-5-4-6-8-12/h4-9H,3H2,1-2H3,(H,19,20,21)

InChI Key

VORKYIREDSAHSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02351082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.771

Distribution Coefficient, logD

1.895

Water Solubility, LogSw

-3.98

Polar Surface Area

71.763

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

3643-3302 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 3643-3302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-3302?
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What is the minimum amount of 3643-3302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-3302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-3302
  • 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 3643-3302 available by request