J026-3501 Screening compound: N-[2-(trifluoromethyl)phenyl]-2-{1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamide

J026-3501 Screening compound: N-[2-(trifluoromethyl)phenyl]-2-{1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamide
J026-3501 Screening compound: N-[2-(trifluoromethyl)phenyl]-2-{1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-3501
N-[2-(trifluoromethyl)phenyl]-2-{1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamide

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

J026-3501

Molecular Formula

C19H17F3N4O3 (C19 H17 F3 N4 O3)

Compound Name

N-[2-(trifluoromethyl)phenyl]-2-{1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamide

IUPAC name

N-[2-(trifluoromethyl)phenyl]-2-{157-trimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-3-yl}acetamide

SMILES

Cc1cc(C)nc(N(C)C(N2CC(Nc3c(C(F)(F)F)cccc3)=O)=O)c1C2=O

InChI

InChI=1S/C19H17F3N4O3/c1-10-8-11(2)23-16-15(10)17(28)26(18(29)25(16)3)9-14(27)24-13-7-5-4-6-12(13)19(20,21)22/h4-8H,9H2,1-3H3,(H,24,27)

InChI Key

CERIWYXYMJQLKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27219812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.044

Distribution Coefficient, logD

3.044

Water Solubility, LogSw

-3.29

Polar Surface Area

63.461

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

J026-3501 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 J026-3501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3501?
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What is the minimum amount of J026-3501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3501
  • 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 J026-3501 available by request