J026-3505 Screening compound: methyl 2-(2-{1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)benzoate

J026-3505 Screening compound: methyl 2-(2-{1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)benzoate
J026-3505 Screening compound: methyl 2-(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 J026-3505
methyl 2-(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

J026-3505

Molecular Formula

C20H20N4O5 (C20 H20 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(C)nc(N(C)C(N2CC(Nc(cccc3)c3C(OC)=O)=O)=O)c1C2=O

InChI

InChI=1S/C20H20N4O5/c1-11-9-12(2)21-17-16(11)18(26)24(20(28)23(17)3)10-15(25)22-14-8-6-5-7-13(14)19(27)29-4/h5-9H,10H2,1-4H3,(H,22,25)

InChI Key

XGHZIVPNPALLJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11854646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.253

Distribution Coefficient, logD

2.247

Water Solubility, LogSw

-3.09

Polar Surface Area

84.635

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

J026-3505 in Drug Discovery

Included in Screening Libraries

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 J026-3505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3505?
Check Price and Availability of J026-3505, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J026-3505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3505
  • 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 J026-3505 available by request