J026-3984 Screening compound: ethyl 3-{[(3-cyanophenyl)carbamoyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-3984 Screening compound: ethyl 3-{[(3-cyanophenyl)carbamoyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-3984 Screening compound: ethyl 3-{[(3-cyanophenyl)carbamoyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-3984
ethyl 3-{[(3-cyanophenyl)carbamoyl]methyl}-1,7-dimethyl-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

J026-3984

Molecular Formula

C21H19N5O5 (C21 H19 N5 O5)

Compound Name

ethyl 3-{[(3-cyanophenyl)carbamoyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

IUPAC name

ethyl 3-{[(3-cyanophenyl)carbamoyl]methyl}-17-dimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxylate

SMILES

CCOC(c1cc(C)nc(N(C)C(N2CC(Nc3cc(C#N)ccc3)=O)=O)c1C2=O)=O

InChI

InChI=1S/C21H19N5O5/c1-4-31-20(29)15-8-12(2)23-18-17(15)19(28)26(21(30)25(18)3)11-16(27)24-14-7-5-6-13(9-14)10-22/h5-9H,4,11H2,1-3H3,(H,24,27)

InChI Key

XTAPCTKLKWDCCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11854642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.639

Distribution Coefficient, logD

2.639

Water Solubility, LogSw

-3.01

Polar Surface Area

101.969

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

J026-3984 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with J026-3984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3984?
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What is the minimum amount of J026-3984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3984
  • 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 J026-3984 available by request