3215-0957 Screening compound: ethyl 2-[(2E)-3-(4-methylphenyl)prop-2-enamido]-4-phenylthiophene-3-carboxylate

3215-0957 Screening compound: ethyl 2-[(2E)-3-(4-methylphenyl)prop-2-enamido]-4-phenylthiophene-3-carboxylate
3215-0957 Screening compound: ethyl 2-[(2E)-3-(4-methylphenyl)prop-2-enamido]-4-phenylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3215-0957
ethyl 2-[(2E)-3-(4-methylphenyl)prop-2-enamido]-4-phenylthiophene-3-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

3215-0957

Molecular Formula

C23H21NO3S (C23 H21 NO3 S)

Compound Name

ethyl 2-[(2E)-3-(4-methylphenyl)prop-2-enamido]-4-phenylthiophene-3-carboxylate

IUPAC name

ethyl 2-[(2E)-3-(4-methylphenyl)prop-2-enamido]-4-phenylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(/C=C/c2ccc(C)cc2)=O)scc1-c1ccccc1)=O

InChI

InChI=1S/C23H21NO3S/c1-3-27-23(26)21-19(18-7-5-4-6-8-18)15-28-22(21)24-20(25)14-13-17-11-9-16(2)10-12-17/h4-15H,3H2,1-2H3,(H,24,25)

InChI Key

RTXDKBJBVFFAOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01458779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.769

Distribution Coefficient, logD

5.754

Water Solubility, LogSw

-5.64

Polar Surface Area

43.393

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-5.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

3215-0957 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 3215-0957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3215-0957?
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What is the minimum amount of 3215-0957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3215-0957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3215-0957
  • 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 3215-0957 available by request