4338-0982 Screening compound: (5Z)-2-hydroxy-4-methyl-5-{[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene}-6-oxo-5,6-dihydropyridine-3-carbonitrile

4338-0982 Screening compound: (5Z)-2-hydroxy-4-methyl-5-{[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene}-6-oxo-5,6-dihydropyridine-3-carbonitrile
4338-0982 Screening compound: (5Z)-2-hydroxy-4-methyl-5-{[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene}-6-oxo-5,6-dihydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4338-0982
(5Z)-2-hydroxy-4-methyl-5-{[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene}-6-oxo-5,6-dihydropyridine-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

4338-0982

Molecular Formula

C19H13N3O5 (C19 H13 N3 O5)

Compound Name

(5Z)-2-hydroxy-4-methyl-5-{[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene}-6-oxo-5,6-dihydropyridine-3-carbonitrile

IUPAC name

(5Z)-2-hydroxy-4-methyl-5-{[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene}-6-oxo-56-dihydropyridine-3-carbonitrile

SMILES

Cc(cc1)cc([N+]([O-])=O)c1-c1ccc(/C=C(/C(C)=C(C(O)=N2)C#N)\C2=O)o1

InChI

InChI=1S/C19H13N3O5/c1-10-3-5-13(16(7-10)22(25)26)17-6-4-12(27-17)8-14-11(2)15(9-20)19(24)21-18(14)23/h3-8H,1-2H3,(H,21,23,24)

InChI Key

NNYFCPFQGDTGSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03307452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.823

Distribution Coefficient, logD

-4.486

Water Solubility, LogSw

-3.33

Polar Surface Area

95.754

Acid Dissociation Constant (pKa)

0.09

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 4338-0982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4338-0982?
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What is the minimum amount of 4338-0982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4338-0982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4338-0982
  • 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 4338-0982 available by request