4331-0874 Screening compound: methyl 4-[(1E)-2-(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)diazen-1-yl]benzoate

4331-0874 Screening compound: methyl 4-[(1E)-2-(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)diazen-1-yl]benzoate
4331-0874 Screening compound: methyl 4-[(1E)-2-(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)diazen-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4331-0874
methyl 4-[(1E)-2-(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)diazen-1-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

4331-0874

Molecular Formula

C16H14N4O4 (C16 H14 N4 O4)

Compound Name

methyl 4-[(1E)-2-(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)diazen-1-yl]benzoate

IUPAC name

methyl 4-[(1E)-2-(5-cyano-2-hydroxy-14-dimethyl-6-oxo-16-dihydropyridin-3-yl)diazen-1-yl]benzoate

SMILES

CC(C(/N=N/c(cc1)ccc1C(OC)=O)=C(N(C)C1=O)O)=C1C#N

InChI

InChI=1S/C16H14N4O4/c1-9-12(8-17)14(21)20(2)15(22)13(9)19-18-11-6-4-10(5-7-11)16(23)24-3/h4-7,22H,1-3H3

InChI Key

OQLIEGPDJNBADC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02068872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.370

Distribution Coefficient, logD

-3.260

Water Solubility, LogSw

-2.37

Polar Surface Area

92.366

Acid Dissociation Constant (pKa)

3.06

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 4331-0874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4331-0874?
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What is the minimum amount of 4331-0874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4331-0874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4331-0874
  • 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 4331-0874 available by request