J026-3583 Screening compound: ethyl 4-(2-{1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)benzoate

J026-3583 Screening compound: ethyl 4-(2-{1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)benzoate
J026-3583 Screening compound: ethyl 4-(2-{1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-3583
ethyl 4-(2-{1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)benzoate

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

J026-3583

Molecular Formula

C21H22N4O5 (C21 H22 N4 O5)

Compound Name

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

IUPAC name

ethyl 4-(2-{157-trimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-3-yl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN(C(c1c(N2C)nc(C)cc1C)=O)C2=O)=O)=O

InChI

InChI=1S/C21H22N4O5/c1-5-30-20(28)14-6-8-15(9-7-14)23-16(26)11-25-19(27)17-12(2)10-13(3)22-18(17)24(4)21(25)29/h6-10H,5,11H2,1-4H3,(H,23,26)

InChI Key

SIMAZFKYRGMFMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11854650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.43

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

3.130

Distribution Coefficient, logD

3.130

Water Solubility, LogSw

-3.11

Polar Surface Area

84.912

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

J026-3583 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Endocrine
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J026-3583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3583?
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What is the minimum amount of J026-3583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3583
  • 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 J026-3583 available by request