8003-7742 Screening compound: 2-anilino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl cyanide

8003-7742 Screening compound: 2-anilino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl cyanide
8003-7742 Screening compound: 2-anilino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-7742
2-anilino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl cyanide

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

8003-7742

Molecular Formula

C15H10N4O (C15 H10 N4 O)

Compound Name

2-anilino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl cyanide

IUPAC name

4-oxo-2-(phenylamino)-4H-pyrido[12-a]pyrimidine-3-carbonitrile

SMILES

N#CC1=C(Nc2ccccc2)N=C(C=CC=C2)N2C1=O

InChI

InChI=1S/C15H10N4O/c16-10-12-14(17-11-6-2-1-3-7-11)18-13-8-4-5-9-19(13)15(12)20/h1-9,17H

InChI Key

JKVNCIGFNSCAQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00744908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.710

Distribution Coefficient, logD

1.645

Water Solubility, LogSw

-1.91

Polar Surface Area

50.716

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8003-7742 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8003-7742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-7742?
Check Price and Availability of 8003-7742, 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 8003-7742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-7742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-7742
  • 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 8003-7742 available by request