J026-4025 Screening compound: methyl 7-cyclopropyl-3-[(3-fluorophenyl)methyl]-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-4025 Screening compound: methyl 7-cyclopropyl-3-[(3-fluorophenyl)methyl]-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-4025 Screening compound: methyl 7-cyclopropyl-3-[(3-fluorophenyl)methyl]-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-4025
methyl 7-cyclopropyl-3-[(3-fluorophenyl)methyl]-1-methyl-2,4-dioxo-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

J026-4025

Molecular Formula

C20H18FN3O4 (C20 H18 FN3 O4)

Compound Name

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

IUPAC name

methyl 7-cyclopropyl-3-[(3-fluorophenyl)methyl]-1-methyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxylate

SMILES

CN(c(nc(C1CC1)cc1C(OC)=O)c1C(N1Cc2cccc(F)c2)=O)C1=O

InChI

InChI=1S/C20H18FN3O4/c1-23-17-16(14(19(26)28-2)9-15(22-17)12-6-7-12)18(25)24(20(23)27)10-11-4-3-5-13(21)8-11/h3-5,8-9,12H,6-7,10H2,1-2H3

InChI Key

ATEZALJWQQLVLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27219921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.753

Distribution Coefficient, logD

3.753

Water Solubility, LogSw

-4.21

Polar Surface Area

62.628

Acid Dissociation Constant (pKa)

23.57

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

J026-4025 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with J026-4025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-4025?
Check Price and Availability of J026-4025, 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 J026-4025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-4025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-4025
  • 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 J026-4025 available by request