J026-3535 Screening compound: 1,5,7-trimethyl-3-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

J026-3535 Screening compound: 1,5,7-trimethyl-3-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
J026-3535 Screening compound: 1,5,7-trimethyl-3-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-3535
1,5,7-trimethyl-3-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

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

J026-3535

Molecular Formula

C18H16F3N3O2 (C18 H16 F3 N3 O2)

Compound Name

1,5,7-trimethyl-3-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

IUPAC name

157-trimethyl-3-{[3-(trifluoromethyl)phenyl]methyl}-1H2H3H4H-pyrido[23-d]pyrimidine-24-dione

SMILES

Cc1cc(C)nc(N(C)C(N2Cc3cccc(C(F)(F)F)c3)=O)c1C2=O

InChI

InChI=1S/C18H16F3N3O2/c1-10-7-11(2)22-15-14(10)16(25)24(17(26)23(15)3)9-12-5-4-6-13(8-12)18(19,20)21/h4-8H,9H2,1-3H3

InChI Key

QQNFRMBPYIEYGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27219829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.880

Distribution Coefficient, logD

3.879

Water Solubility, LogSw

-4.17

Polar Surface Area

41.009

Acid Dissociation Constant (pKa)

26.88

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

J026-3535 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with J026-3535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3535?
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What is the minimum amount of J026-3535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3535
  • 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 J026-3535 available by request