J026-4055 Screening compound: methyl 7-cyclopropyl-1-methyl-2,4-dioxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-4055 Screening compound: methyl 7-cyclopropyl-1-methyl-2,4-dioxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-4055 Screening compound: methyl 7-cyclopropyl-1-methyl-2,4-dioxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-4055
methyl 7-cyclopropyl-1-methyl-2,4-dioxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}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

J026-4055

Molecular Formula

C22H19F3N4O5 (C22 H19 F3 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

CN(c(nc(C1CC1)cc1C(OC)=O)c1C(N1CC(Nc2cccc(C(F)(F)F)c2)=O)=O)C1=O

InChI

InChI=1S/C22H19F3N4O5/c1-28-18-17(14(20(32)34-2)9-15(27-18)11-6-7-11)19(31)29(21(28)33)10-16(30)26-13-5-3-4-12(8-13)22(23,24)25/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,26,30)

InChI Key

NFHVYZKWPYPCNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27219931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.080

Distribution Coefficient, logD

4.080

Water Solubility, LogSw

-4.43

Polar Surface Area

85.778

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with J026-4055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-4055?
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What is the minimum amount of J026-4055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-4055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-4055
  • 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 J026-4055 available by request