4331-0844 Screening compound: butyl 4-[(1E)-2-(5-cyano-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazen-1-yl]benzoate

4331-0844 Screening compound: butyl 4-[(1E)-2-(5-cyano-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazen-1-yl]benzoate
4331-0844 Screening compound: butyl 4-[(1E)-2-(5-cyano-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazen-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4331-0844
butyl 4-[(1E)-2-(5-cyano-2-hydroxy-4-methyl-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

4331-0844

Molecular Formula

C18H18N4O4 (C18 H18 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCCOC(c(cc1)ccc1/N=N/C(C(C)=C(C(N1)=O)C#N)=C1O)=O

InChI

InChI=1S/C18H18N4O4/c1-3-4-9-26-18(25)12-5-7-13(8-6-12)21-22-15-11(2)14(10-19)16(23)20-17(15)24/h5-8H,3-4,9H2,1-2H3,(H2,20,23,24)

InChI Key

IBWMERFETDXLRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03679278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.683

Distribution Coefficient, logD

-2.770

Water Solubility, LogSw

-3.80

Polar Surface Area

101.277

Acid Dissociation Constant (pKa)

2.23

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with 4331-0844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4331-0844?
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What is the minimum amount of 4331-0844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4331-0844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4331-0844
  • 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 4331-0844 available by request