P682-0103 Screening compound: 4-hydroxy-2-oxo-N-{[4-(trifluoromethyl)phenyl]methyl}-1,2-dihydro-1,8-naphthyridine-3-carboxamide

P682-0103 Screening compound: 4-hydroxy-2-oxo-N-{[4-(trifluoromethyl)phenyl]methyl}-1,2-dihydro-1,8-naphthyridine-3-carboxamide
P682-0103 Screening compound: 4-hydroxy-2-oxo-N-{[4-(trifluoromethyl)phenyl]methyl}-1,2-dihydro-1,8-naphthyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P682-0103
4-hydroxy-2-oxo-N-{[4-(trifluoromethyl)phenyl]methyl}-1,2-dihydro-1,8-naphthyridine-3-carboxamide

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

P682-0103

Molecular Formula

C17H12F3N3O3 (C17 H12 F3 N3 O3)

Compound Name

4-hydroxy-2-oxo-N-{[4-(trifluoromethyl)phenyl]methyl}-1,2-dihydro-1,8-naphthyridine-3-carboxamide

IUPAC name

4-hydroxy-2-oxo-N-{[4-(trifluoromethyl)phenyl]methyl}-12-dihydro-18-naphthyridine-3-carboxamide

SMILES

OC(c1c(N2)nccc1)=C(C(NCc1ccc(C(F)(F)F)cc1)=O)C2=O

InChI

InChI=1S/C17H12F3N3O3/c18-17(19,20)10-5-3-9(4-6-10)8-22-15(25)12-13(24)11-2-1-7-21-14(11)23-16(12)26/h1-7H,8H2,(H,22,25)(H2,21,23,24,26)

InChI Key

VPHWNTZHHDKFDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27611731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.850

Distribution Coefficient, logD

-1.157

Water Solubility, LogSw

-2.74

Polar Surface Area

74.224

Acid Dissociation Constant (pKa)

4.39

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

P682-0103 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Proteases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P682-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P682-0103?
Check Price and Availability of P682-0103, 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 P682-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P682-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P682-0103
  • 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 P682-0103 available by request