3229-2429 Screening compound: 4-{5-[(1E)-2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]furan-2-yl}benzoic acid

3229-2429 Screening compound: 4-{5-[(1E)-2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]furan-2-yl}benzoic acid
3229-2429 Screening compound: 4-{5-[(1E)-2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]furan-2-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-2429
4-{5-[(1E)-2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]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

3229-2429

Molecular Formula

C21H13N3O3 (C21 H13 N3 O3)

Compound Name

4-{5-[(1E)-2-(1H-1,3-benzodiazol-2-yl)-2-cyanoeth-1-en-1-yl]furan-2-yl}benzoic acid

IUPAC name

4-{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(-c(cc2)ccc2C(O)=O)o1

InChI

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

InChI Key

AHBIRSCEARQARK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00846721

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

4.690

Distribution Coefficient, logD

0.962

Water Solubility, LogSw

-4.65

Polar Surface Area

72.292

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3229-2429 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

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 3229-2429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-2429?
Check Price and Availability of 3229-2429, 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 3229-2429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-2429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-2429
  • 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 3229-2429 available by request