4331-0875 Screening compound: ethyl 4-[(1E)-2-(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)diazen-1-yl]benzoate

4331-0875 Screening compound: ethyl 4-[(1E)-2-(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)diazen-1-yl]benzoate
4331-0875 Screening compound: ethyl 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 4331-0875
ethyl 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

4331-0875

Molecular Formula

C17H16N4O4 (C17 H16 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1/N=N/C(C(C)=C(C(N1C)=O)C#N)=C1O)=O

InChI

InChI=1S/C17H16N4O4/c1-4-25-17(24)11-5-7-12(8-6-11)19-20-14-10(2)13(9-18)15(22)21(3)16(14)23/h5-8,23H,4H2,1-3H3

InChI Key

RFYNRKDQVTWLRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02951253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.881

Distribution Coefficient, logD

-2.749

Water Solubility, LogSw

-2.87

Polar Surface Area

91.945

Acid Dissociation Constant (pKa)

3.06

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

4331-0875 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 4331-0875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4331-0875?
Check Price and Availability of 4331-0875, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4331-0875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4331-0875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4331-0875
  • 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 4331-0875 available by request