4338-0761 Screening compound: 2-(5-{[(3E)-5-cyano-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-3-ylidene]methyl}furan-2-yl)benzoic acid

4338-0761 Screening compound: 2-(5-{[(3E)-5-cyano-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-3-ylidene]methyl}furan-2-yl)benzoic acid
4338-0761 Screening compound: 2-(5-{[(3E)-5-cyano-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-3-ylidene]methyl}furan-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4338-0761
2-(5-{[(3E)-5-cyano-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-3-ylidene]methyl}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

4338-0761

Molecular Formula

C19H12N2O5 (C19 H12 N2 O5)

Compound Name

2-(5-{[(3E)-5-cyano-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-3-ylidene]methyl}furan-2-yl)benzoic acid

IUPAC name

2-(5-{[(3E)-5-cyano-4-methyl-26-dioxo-1236-tetrahydropyridin-3-ylidene]methyl}furan-2-yl)benzoic acid

SMILES

CC(/C(/C(NC1=O)=O)=C\c2ccc(-c(cccc3)c3C(O)=O)o2)=C1C#N

InChI

InChI=1S/C19H12N2O5/c1-10-14(17(22)21-18(23)15(10)9-20)8-11-6-7-16(26-11)12-4-2-3-5-13(12)19(24)25/h2-8H,1H3,(H,24,25)(H,21,22,23)

InChI Key

QFSBWMPPUNFUEN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.070

Distribution Coefficient, logD

-1.983

Water Solubility, LogSw

-2.73

Polar Surface Area

91.672

Acid Dissociation Constant (pKa)

3.35

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with 4338-0761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4338-0761?
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What is the minimum amount of 4338-0761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4338-0761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4338-0761
  • 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 4338-0761 available by request