J026-3745 Screening compound: 1,3-dimethyl 5-(2-{1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)benzene-1,3-dicarboxylate

J026-3745 Screening compound: 1,3-dimethyl 5-(2-{1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)benzene-1,3-dicarboxylate
J026-3745 Screening compound: 1,3-dimethyl 5-(2-{1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-3745
1,3-dimethyl 5-(2-{1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)benzene-1,3-dicarboxylate

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

J026-3745

Molecular Formula

C22H22N4O7 (C22 H22 N4 O7)

Compound Name

1,3-dimethyl 5-(2-{1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-(2-{157-trimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-3-yl}acetamido)benzene-13-dicarboxylate

SMILES

Cc1cc(C)nc(N(C)C(N2CC(Nc3cc(C(OC)=O)cc(C(OC)=O)c3)=O)=O)c1C2=O

InChI

InChI=1S/C22H22N4O7/c1-11-6-12(2)23-18-17(11)19(28)26(22(31)25(18)3)10-16(27)24-15-8-13(20(29)32-4)7-14(9-15)21(30)33-5/h6-9H,10H2,1-5H3,(H,24,27)

InChI Key

OVSNEOPMRJMWHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27219861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.44

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.018

Distribution Coefficient, logD

3.018

Water Solubility, LogSw

-2.98

Polar Surface Area

106.506

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

J026-3745 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 J026-3745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3745?
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What is the minimum amount of J026-3745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3745
  • 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 J026-3745 available by request