4940-1098 Screening compound: (5E)-5-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidene}-4-methyl-2,6-dioxo-1-propyl-1,2,5,6-tetrahydropyridine-3-carbonitrile

4940-1098 Screening compound: (5E)-5-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidene}-4-methyl-2,6-dioxo-1-propyl-1,2,5,6-tetrahydropyridine-3-carbonitrile
4940-1098 Screening compound: (5E)-5-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidene}-4-methyl-2,6-dioxo-1-propyl-1,2,5,6-tetrahydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4940-1098
(5E)-5-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidene}-4-methyl-2,6-dioxo-1-propyl-1,2,5,6-tetrahydropyridine-3-carbonitrile

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

4940-1098

Molecular Formula

C22H19ClN2O3 (C22 H19 ClN2 O3)

Compound Name

(5E)-5-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidene}-4-methyl-2,6-dioxo-1-propyl-1,2,5,6-tetrahydropyridine-3-carbonitrile

IUPAC name

(5E)-5-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidene}-4-methyl-26-dioxo-1-propyl-1256-tetrahydropyridine-3-carbonitrile

SMILES

CCCN(C(/C(/C(C)=C1C#N)=C/c2ccc(-c3cccc(Cl)c3C)o2)=O)C1=O

InChI

InChI=1S/C22H19ClN2O3/c1-4-10-25-21(26)17(13(2)18(12-24)22(25)27)11-15-8-9-20(28-15)16-6-5-7-19(23)14(16)3/h5-9,11H,4,10H2,1-3H3

InChI Key

ZOKVYUCZGYNYAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03217089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.896

Distribution Coefficient, logD

4.896

Water Solubility, LogSw

-4.89

Polar Surface Area

54.001

Acid Dissociation Constant (pKa)

27.96

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 4940-1098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4940-1098?
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What is the minimum amount of 4940-1098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4940-1098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4940-1098
  • 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 4940-1098 available by request