6056-0071 Screening compound: (5E)-5-{[5-(4-acetylphenyl)furan-2-yl]methylidene}-4-methyl-2,6-dioxo-1-(2-phenylethyl)-1,2,5,6-tetrahydropyridine-3-carbonitrile

6056-0071 Screening compound: (5E)-5-{[5-(4-acetylphenyl)furan-2-yl]methylidene}-4-methyl-2,6-dioxo-1-(2-phenylethyl)-1,2,5,6-tetrahydropyridine-3-carbonitrile
6056-0071 Screening compound: (5E)-5-{[5-(4-acetylphenyl)furan-2-yl]methylidene}-4-methyl-2,6-dioxo-1-(2-phenylethyl)-1,2,5,6-tetrahydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6056-0071
(5E)-5-{[5-(4-acetylphenyl)furan-2-yl]methylidene}-4-methyl-2,6-dioxo-1-(2-phenylethyl)-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

6056-0071

Molecular Formula

C28H22N2O4 (C28 H22 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(c(cc1)ccc1-c1ccc(/C=C(\C(C)=C(C(N2CCc3ccccc3)=O)C#N)/C2=O)o1)=O

InChI

InChI=1S/C28H22N2O4/c1-18-24(16-23-12-13-26(34-23)22-10-8-21(9-11-22)19(2)31)27(32)30(28(33)25(18)17-29)15-14-20-6-4-3-5-7-20/h3-13,16H,14-15H2,1-2H3

InChI Key

USVMPJRNVIKDGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04238058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.433

Distribution Coefficient, logD

4.433

Water Solubility, LogSw

-4.37

Polar Surface Area

67.556

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 6056-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6056-0071?
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What is the minimum amount of 6056-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6056-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6056-0071
  • 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 6056-0071 available by request