J026-4007 Screening compound: methyl 3-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-7-cyclopropyl-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-4007 Screening compound: methyl 3-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-7-cyclopropyl-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-4007 Screening compound: methyl 3-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-7-cyclopropyl-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 J026-4007
methyl 3-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-7-cyclopropyl-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

J026-4007

Molecular Formula

C21H18ClFN4O5 (C21 H18 ClFN4 O5)

Compound Name

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

IUPAC name

methyl 3-{[(3-chloro-4-fluorophenyl)carbamoyl]methyl}-7-cyclopropyl-1-methyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxylate

SMILES

CN(c(nc(C1CC1)cc1C(OC)=O)c1C(N1CC(Nc(cc2)cc(Cl)c2F)=O)=O)C1=O

InChI

InChI=1S/C21H18ClFN4O5/c1-26-18-17(12(20(30)32-2)8-15(25-18)10-3-4-10)19(29)27(21(26)31)9-16(28)24-11-5-6-14(23)13(22)7-11/h5-8,10H,3-4,9H2,1-2H3,(H,24,28)

InChI Key

XGEXUXMHZRQUPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11854910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.85

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.767

Distribution Coefficient, logD

3.763

Water Solubility, LogSw

-4.48

Polar Surface Area

85.778

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

J026-4007 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J026-4007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-4007?
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What is the minimum amount of J026-4007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-4007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-4007
  • 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 J026-4007 available by request