J026-0791 Screening compound: 1-(2-methoxyphenyl)-5,7-dimethyl-3-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

J026-0791 Screening compound: 1-(2-methoxyphenyl)-5,7-dimethyl-3-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
J026-0791 Screening compound: 1-(2-methoxyphenyl)-5,7-dimethyl-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 J026-0791
1-(2-methoxyphenyl)-5,7-dimethyl-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

J026-0791

Molecular Formula

C24H20F3N3O3 (C24 H20 F3 N3 O3)

Compound Name

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

IUPAC name

1-(2-methoxyphenyl)-57-dimethyl-3-{[3-(trifluoromethyl)phenyl]methyl}-1H2H3H4H-pyrido[23-d]pyrimidine-24-dione

SMILES

Cc1cc(C)nc(N(c(cccc2)c2OC)C(N2Cc3cccc(C(F)(F)F)c3)=O)c1C2=O

InChI

InChI=1S/C24H20F3N3O3/c1-14-11-15(2)28-21-20(14)22(31)29(13-16-7-6-8-17(12-16)24(25,26)27)23(32)30(21)18-9-4-5-10-19(18)33-3/h4-12H,13H2,1-3H3

InChI Key

NIUGPYRYDOSRAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09779554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.973

Distribution Coefficient, logD

4.964

Water Solubility, LogSw

-4.81

Polar Surface Area

47.690

Acid Dissociation Constant (pKa)

27.00

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

J026-0791 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J026-0791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-0791?
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What is the minimum amount of J026-0791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-0791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-0791
  • 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 J026-0791 available by request