4338-1220 Screening compound: propyl 2-chloro-5-(5-{[(3E)-5-cyano-1,4-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-3-ylidene]methyl}furan-2-yl)benzoate

4338-1220 Screening compound: propyl 2-chloro-5-(5-{[(3E)-5-cyano-1,4-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-3-ylidene]methyl}furan-2-yl)benzoate
4338-1220 Screening compound: propyl 2-chloro-5-(5-{[(3E)-5-cyano-1,4-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-3-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4338-1220
propyl 2-chloro-5-(5-{[(3E)-5-cyano-1,4-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-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

4338-1220

Molecular Formula

C23H19ClN2O5 (C23 H19 ClN2 O5)

Compound Name

propyl 2-chloro-5-(5-{[(3E)-5-cyano-1,4-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-3-ylidene]methyl}furan-2-yl)benzoate

IUPAC name

propyl 2-chloro-5-(5-{[(3E)-5-cyano-14-dimethyl-26-dioxo-1236-tetrahydropyridin-3-ylidene]methyl}furan-2-yl)benzoate

SMILES

CCCOC(c(cc(cc1)-c2ccc(/C=C(\C(C)=C(C(N3C)=O)C#N)/C3=O)o2)c1Cl)=O

InChI

InChI=1S/C23H19ClN2O5/c1-4-9-30-23(29)17-10-14(5-7-19(17)24)20-8-6-15(31-20)11-16-13(2)18(12-25)22(28)26(3)21(16)27/h5-8,10-11H,4,9H2,1-3H3

InChI Key

OSKOAUMNVOZBGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.591

Distribution Coefficient, logD

4.591

Water Solubility, LogSw

-4.81

Polar Surface Area

74.836

Acid Dissociation Constant (pKa)

27.80

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

4338-1220 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 4338-1220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4338-1220?
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What is the minimum amount of 4338-1220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4338-1220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4338-1220
  • 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 4338-1220 available by request