J026-2151 Screening compound: methyl 3-{[(2-chloro-4-methylphenyl)carbamoyl]methyl}-1-[(furan-2-yl)methyl]-7-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-2151 Screening compound: methyl 3-{[(2-chloro-4-methylphenyl)carbamoyl]methyl}-1-[(furan-2-yl)methyl]-7-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-2151 Screening compound: methyl 3-{[(2-chloro-4-methylphenyl)carbamoyl]methyl}-1-[(furan-2-yl)methyl]-7-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-2151
methyl 3-{[(2-chloro-4-methylphenyl)carbamoyl]methyl}-1-[(furan-2-yl)methyl]-7-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

J026-2151

Molecular Formula

C24H21ClN4O6 (C24 H21 ClN4 O6)

Compound Name

methyl 3-{[(2-chloro-4-methylphenyl)carbamoyl]methyl}-1-[(furan-2-yl)methyl]-7-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

IUPAC name

methyl 3-{[(2-chloro-4-methylphenyl)carbamoyl]methyl}-1-[(furan-2-yl)methyl]-7-methyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxylate

SMILES

Cc(cc1)cc(Cl)c1NC(CN(C(c1c(N2Cc3ccco3)nc(C)cc1C(OC)=O)=O)C2=O)=O

InChI

InChI=1S/C24H21ClN4O6/c1-13-6-7-18(17(25)9-13)27-19(30)12-29-22(31)20-16(23(32)34-3)10-14(2)26-21(20)28(24(29)33)11-15-5-4-8-35-15/h4-10H,11-12H2,1-3H3,(H,27,30)

InChI Key

IHNVVVXLMUXBBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11854747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.91

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

4.030

Distribution Coefficient, logD

4.030

Water Solubility, LogSw

-4.49

Polar Surface Area

92.346

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

J026-2151 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J026-2151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-2151?
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What is the minimum amount of J026-2151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-2151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-2151
  • 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 J026-2151 available by request