2729-0981 Screening compound: 2-[(2E)-3-(furan-2-yl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylic acid

2729-0981 Screening compound: 2-[(2E)-3-(furan-2-yl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylic acid
2729-0981 Screening compound: 2-[(2E)-3-(furan-2-yl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0981
2-[(2E)-3-(furan-2-yl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylic acid

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

2729-0981

Molecular Formula

C14H13NO4S (C14 H13 NO4 S)

Compound Name

2-[(2E)-3-(furan-2-yl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylic acid

IUPAC name

2-[(2E)-3-(furan-2-yl)prop-2-enamido]-45-dimethylthiophene-3-carboxylic acid

SMILES

Cc1c(C)sc(NC(/C=C/c2ccco2)=O)c1C(O)=O

InChI

InChI=1S/C14H13NO4S/c1-8-9(2)20-13(12(8)14(17)18)15-11(16)6-5-10-4-3-7-19-10/h3-7H,1-2H3,(H,15,16)(H,17,18)

InChI Key

DADCHQVUJPVOMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01911453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.917

Distribution Coefficient, logD

-0.263

Water Solubility, LogSw

-3.23

Polar Surface Area

59.067

Acid Dissociation Constant (pKa)

4.22

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

2729-0981 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2729-0981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-0981?
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What is the minimum amount of 2729-0981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0981
  • 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 2729-0981 available by request