P682-0531 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide

P682-0531 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
P682-0531 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-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 P682-0531
N-(2,3-dihydro-1,4-benzodioxin-6-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

P682-0531

Molecular Formula

C24H19N3O6 (C24 H19 N3 O6)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-12-dihydro-18-naphthyridine-3-carboxamide

SMILES

COc(cc1)ccc1N(c1ncccc1C(O)=C1C(Nc(cc2)cc3c2OCCO3)=O)C1=O

InChI

InChI=1S/C24H19N3O6/c1-31-16-7-5-15(6-8-16)27-22-17(3-2-10-25-22)21(28)20(24(27)30)23(29)26-14-4-9-18-19(13-14)33-12-11-32-18/h2-10,13,28H,11-12H2,1H3,(H,26,29)

InChI Key

UMVPWDFVOMUTIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27611767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.43

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

1.572

Distribution Coefficient, logD

-3.053

Water Solubility, LogSw

-2.46

Polar Surface Area

86.590

Acid Dissociation Constant (pKa)

2.78

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

P682-0531 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 P682-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P682-0531?
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What is the minimum amount of P682-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P682-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P682-0531
  • 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 P682-0531 available by request