P682-0530 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide

P682-0530 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
P682-0530 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P682-0530
N-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-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

P682-0530

Molecular Formula

C23H17N3O6 (C23 H17 N3 O6)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-12-dihydro-18-naphthyridine-3-carboxamide

SMILES

COc(cc1)ccc1N(c1ncccc1C(O)=C1C(Nc(cc2)cc3c2OCO3)=O)C1=O

InChI

InChI=1S/C23H17N3O6/c1-30-15-7-5-14(6-8-15)26-21-16(3-2-10-24-21)20(27)19(23(26)29)22(28)25-13-4-9-17-18(11-13)32-12-31-17/h2-11,27H,12H2,1H3,(H,25,28)

InChI Key

LVZSPPNFVKUKDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27611766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.432

Distribution Coefficient, logD

-2.192

Water Solubility, LogSw

-3.02

Polar Surface Area

87.882

Acid Dissociation Constant (pKa)

2.78

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

P682-0530 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

C-Met Library (15277 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Hsp90-Targeted Library (11355 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P682-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P682-0530?
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What is the minimum amount of P682-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P682-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P682-0530
  • 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 P682-0530 available by request