4243-0277 Screening compound: (5E)-5-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidene}-1,4-dimethyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile

4243-0277 Screening compound: (5E)-5-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidene}-1,4-dimethyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
4243-0277 Screening compound: (5E)-5-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidene}-1,4-dimethyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4243-0277
(5E)-5-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidene}-1,4-dimethyl-2,6-dioxo-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

4243-0277

Molecular Formula

C20H15ClN2O3 (C20 H15 ClN2 O3)

Compound Name

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

IUPAC name

(5E)-5-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidene}-14-dimethyl-26-dioxo-1256-tetrahydropyridine-3-carbonitrile

SMILES

Cc(c(-c1ccc(/C=C(\C(C)=C(C(N2C)=O)C#N)/C2=O)o1)ccc1)c1Cl

InChI

InChI=1S/C20H15ClN2O3/c1-11-15(19(24)23(3)20(25)16(11)10-22)9-13-7-8-18(26-13)14-5-4-6-17(21)12(14)2/h4-9H,1-3H3

InChI Key

XZOSPEPGIDDICG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02915155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.895

Distribution Coefficient, logD

3.895

Water Solubility, LogSw

-4.28

Polar Surface Area

53.789

Acid Dissociation Constant (pKa)

28.27

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 4243-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4243-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4243-0277
  • 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 4243-0277 available by request