6392-0912 Screening compound: (2E)-N-benzyl-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide

6392-0912 Screening compound: (2E)-N-benzyl-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
6392-0912 Screening compound: (2E)-N-benzyl-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-0912
(2E)-N-benzyl-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide

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

6392-0912

Molecular Formula

C26H19FN4O3 (C26 H19 FN4 O3)

Compound Name

(2E)-N-benzyl-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide

IUPAC name

(2E)-N-benzyl-2-cyano-3-[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl]prop-2-enamide

SMILES

CC(C1=NC(Oc(cccc2)c2F)=C2/C=C(/C(NCc3ccccc3)=O)\C#N)=CC=CN1C2=O

InChI

InChI=1S/C26H19FN4O3/c1-17-8-7-13-31-23(17)30-25(34-22-12-6-5-11-21(22)27)20(26(31)33)14-19(15-28)24(32)29-16-18-9-3-2-4-10-18/h2-14H,16H2,1H3,(H,29,32)

InChI Key

PIXJYGXXBOPRQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04447589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.465

Distribution Coefficient, logD

3.421

Water Solubility, LogSw

-3.89

Polar Surface Area

73.319

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

6392-0912 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 6392-0912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6392-0912?
Check Price and Availability of 6392-0912, 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 6392-0912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-0912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-0912
  • 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 6392-0912 available by request