4338-0997 Screening compound: propan-2-yl 4-(5-{[(3Z)-5-cyano-6-hydroxy-4-methyl-2-oxo-2,3-dihydropyridin-3-ylidene]methyl}furan-2-yl)benzoate

4338-0997 Screening compound: propan-2-yl 4-(5-{[(3Z)-5-cyano-6-hydroxy-4-methyl-2-oxo-2,3-dihydropyridin-3-ylidene]methyl}furan-2-yl)benzoate
4338-0997 Screening compound: propan-2-yl 4-(5-{[(3Z)-5-cyano-6-hydroxy-4-methyl-2-oxo-2,3-dihydropyridin-3-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4338-0997
propan-2-yl 4-(5-{[(3Z)-5-cyano-6-hydroxy-4-methyl-2-oxo-2,3-dihydropyridin-3-ylidene]methyl}furan-2-yl)benzoate

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

4338-0997

Molecular Formula

C22H18N2O5 (C22 H18 N2 O5)

Compound Name

propan-2-yl 4-(5-{[(3Z)-5-cyano-6-hydroxy-4-methyl-2-oxo-2,3-dihydropyridin-3-ylidene]methyl}furan-2-yl)benzoate

IUPAC name

propan-2-yl 4-(5-{[(3Z)-5-cyano-6-hydroxy-4-methyl-2-oxo-23-dihydropyridin-3-ylidene]methyl}furan-2-yl)benzoate

SMILES

CC(C)OC(c(cc1)ccc1-c1ccc(/C=C(/C(C)=C(C(O)=N2)C#N)\C2=O)o1)=O

InChI

InChI=1S/C22H18N2O5/c1-12(2)28-22(27)15-6-4-14(5-7-15)19-9-8-16(29-19)10-17-13(3)18(11-23)21(26)24-20(17)25/h4-10,12H,1-3H3,(H,24,25,26)

InChI Key

OVFWESKKBJMSOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03307513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.460

Distribution Coefficient, logD

-3.849

Water Solubility, LogSw

-3.51

Polar Surface Area

83.106

Acid Dissociation Constant (pKa)

0.09

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 4338-0997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4338-0997?
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What is the minimum amount of 4338-0997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4338-0997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4338-0997
  • 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 4338-0997 available by request