6392-0312 Screening compound: methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate

6392-0312 Screening compound: methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
6392-0312 Screening compound: methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-0312
methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate

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

6392-0312

Molecular Formula

C19H12FN3O4 (C19 H12 FN3 O4)

Compound Name

methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate

IUPAC name

methyl (2E)-2-cyano-3-[2-(2-fluorophenoxy)-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl]prop-2-enoate

SMILES

COC(/C(/C#N)=C/C(C(N(C=CC=C1)C1=N1)=O)=C1Oc(cccc1)c1F)=O

InChI

InChI=1S/C19H12FN3O4/c1-26-19(25)12(11-21)10-13-17(27-15-7-3-2-6-14(15)20)22-16-8-4-5-9-23(16)18(13)24/h2-10H,1H3

InChI Key

GHNIPIYDTFQNAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04193130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.449

Distribution Coefficient, logD

2.449

Water Solubility, LogSw

-2.56

Polar Surface Area

71.059

Acid Dissociation Constant (pKa)

34.04

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

6392-0312 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 6392-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6392-0312?
Check Price and Availability of 6392-0312, 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 6392-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-0312
  • 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 6392-0312 available by request