J026-3946 Screening compound: ethyl 3-{[(3-methoxyphenyl)carbamoyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-3946 Screening compound: ethyl 3-{[(3-methoxyphenyl)carbamoyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-3946 Screening compound: ethyl 3-{[(3-methoxyphenyl)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 J026-3946
ethyl 3-{[(3-methoxyphenyl)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

J026-3946

Molecular Formula

C21H22N4O6 (C21 H22 N4 O6)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H22N4O6/c1-5-31-20(28)15-9-12(2)22-18-17(15)19(27)25(21(29)24(18)3)11-16(26)23-13-7-6-8-14(10-13)30-4/h6-10H,5,11H2,1-4H3,(H,23,26)

InChI Key

JTVANRXMVLIVBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27219903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.43

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

2.845

Distribution Coefficient, logD

2.845

Water Solubility, LogSw

-3.18

Polar Surface Area

92.456

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

J026-3946 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J026-3946 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J026-3946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3946
  • 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 J026-3946 available by request