J026-2085 Screening compound: methyl 7-cyclopropyl-2,4-dioxo-1-phenyl-3-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-2085 Screening compound: methyl 7-cyclopropyl-2,4-dioxo-1-phenyl-3-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-2085 Screening compound: methyl 7-cyclopropyl-2,4-dioxo-1-phenyl-3-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-2085
methyl 7-cyclopropyl-2,4-dioxo-1-phenyl-3-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

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

J026-2085

Molecular Formula

C26H20F3N3O4 (C26 H20 F3 N3 O4)

Compound Name

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

IUPAC name

methyl 7-cyclopropyl-24-dioxo-1-phenyl-3-{[3-(trifluoromethyl)phenyl]methyl}-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxylate

SMILES

COC(c1cc(C2CC2)nc(N(c2ccccc2)C(N2Cc3cccc(C(F)(F)F)c3)=O)c1C2=O)=O

InChI

InChI=1S/C26H20F3N3O4/c1-36-24(34)19-13-20(16-10-11-16)30-22-21(19)23(33)31(25(35)32(22)18-8-3-2-4-9-18)14-15-6-5-7-17(12-15)26(27,28)29/h2-9,12-13,16H,10-11,14H2,1H3

InChI Key

NZHVOKJCHCCVAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09779767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.500

Distribution Coefficient, logD

5.500

Water Solubility, LogSw

-5.72

Polar Surface Area

61.980

Acid Dissociation Constant (pKa)

23.57

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

J026-2085 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J026-2085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-2085?
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What is the minimum amount of J026-2085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-2085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-2085
  • 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 J026-2085 available by request