2039-0486 Screening compound: 3-{5-[2-(1H-Benzoimidazol-2-yl)-2-cyano-vinyl]-furan-2-yl}-benzoic acid

2039-0486 Screening compound: 3-{5-[2-(1H-Benzoimidazol-2-yl)-2-cyano-vinyl]-furan-2-yl}-benzoic acid
2039-0486 Screening compound: 3-{5-[2-(1H-Benzoimidazol-2-yl)-2-cyano-vinyl]-furan-2-yl}-benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2039-0486
3-{5-[2-(1H-Benzoimidazol-2-yl)-2-cyano-vinyl]-furan-2-yl}-benzoic 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

2039-0486

Molecular Formula

C21H13N3O3 (C21 H13 N3 O3)

Compound Name

3-{5-[2-(1H-Benzoimidazol-2-yl)-2-cyano-vinyl]-furan-2-yl}-benzoic acid

IUPAC name

3-{5-[(1E)-2-(1H-13-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]furan-2-yl}benzoic acid

SMILES

N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1ccc(-c2cccc(C(O)=O)c2)o1

InChI

InChI=1S/C21H13N3O3/c22-12-15(20-23-17-6-1-2-7-18(17)24-20)11-16-8-9-19(27-16)13-4-3-5-14(10-13)21(25)26/h1-11H,(H,23,24)(H,25,26)

InChI Key

FULNFOCEYITKTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00354114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.631

Distribution Coefficient, logD

1.118

Water Solubility, LogSw

-4.61

Polar Surface Area

72.292

Acid Dissociation Constant (pKa)

3.89

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2039-0486 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2039-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2039-0486?
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What is the minimum amount of 2039-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2039-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2039-0486
  • 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 2039-0486 available by request