T817-0314 Screening compound: 4-methyl-2-(pyridin-4-yl)-8-[(pyridin-4-yl)methyl]-5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-7-one

T817-0314 Screening compound: 4-methyl-2-(pyridin-4-yl)-8-[(pyridin-4-yl)methyl]-5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-7-one
T817-0314 Screening compound: 4-methyl-2-(pyridin-4-yl)-8-[(pyridin-4-yl)methyl]-5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T817-0314
4-methyl-2-(pyridin-4-yl)-8-[(pyridin-4-yl)methyl]-5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-7-one

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

T817-0314

Molecular Formula

C19H17N5O (C19 H17 N5 O)

Compound Name

4-methyl-2-(pyridin-4-yl)-8-[(pyridin-4-yl)methyl]-5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-7-one

IUPAC name

4-methyl-2-(pyridin-4-yl)-8-[(pyridin-4-yl)methyl]-5H6H7H8H-pyrido[23-d]pyrimidin-7-one

SMILES

Cc1c(CCC(N2Cc3ccncc3)=O)c2nc(-c2ccncc2)n1

InChI

InChI=1S/C19H17N5O/c1-13-16-2-3-17(25)24(12-14-4-8-20-9-5-14)19(16)23-18(22-13)15-6-10-21-11-7-15/h4-11H,2-3,12H2,1H3

InChI Key

MCAUWAZKXQJMDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29028277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.457

Distribution Coefficient, logD

2.453

Water Solubility, LogSw

-2.12

Polar Surface Area

54.635

Acid Dissociation Constant (pKa)

17.94

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

T817-0314 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T817-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T817-0314?
Check Price and Availability of T817-0314, 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 T817-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T817-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T817-0314
  • 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 T817-0314 available by request