J026-3998 Screening compound: methyl 7-cyclopropyl-1-methyl-3-[(2-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-3998 Screening compound: methyl 7-cyclopropyl-1-methyl-3-[(2-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-3998 Screening compound: methyl 7-cyclopropyl-1-methyl-3-[(2-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-3998
methyl 7-cyclopropyl-1-methyl-3-[(2-methylphenyl)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

J026-3998

Molecular Formula

C21H21N3O4 (C21 H21 N3 O4)

Compound Name

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

IUPAC name

methyl 7-cyclopropyl-1-methyl-3-[(2-methylphenyl)methyl]-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxylate

SMILES

Cc1c(CN(C(c2c(N3C)nc(C4CC4)cc2C(OC)=O)=O)C3=O)cccc1

InChI

InChI=1S/C21H21N3O4/c1-12-6-4-5-7-14(12)11-24-19(25)17-15(20(26)28-3)10-16(13-8-9-13)22-18(17)23(2)21(24)27/h4-7,10,13H,8-9,11H2,1-3H3

InChI Key

YWIXRBREDDOBMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27219917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

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

4.250

Distribution Coefficient, logD

4.249

Water Solubility, LogSw

-4.53

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

33.30

J026-3998 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 J026-3998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3998?
Check Price and Availability of J026-3998, 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 J026-3998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3998
  • 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 J026-3998 available by request