P682-0645 Screening compound: methyl 3-[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-amido]benzoate

P682-0645 Screening compound: methyl 3-[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-amido]benzoate
P682-0645 Screening compound: methyl 3-[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P682-0645
methyl 3-[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-amido]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

P682-0645

Molecular Formula

C23H16FN3O5 (C23 H16 FN3 O5)

Compound Name

methyl 3-[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-amido]benzoate

IUPAC name

methyl 3-[1-(4-fluorophenyl)-4-hydroxy-2-oxo-12-dihydro-18-naphthyridine-3-amido]benzoate

SMILES

COC(c1cccc(NC(C(C(N(c(cc2)ccc2F)c2ncccc22)=O)=C2O)=O)c1)=O

InChI

InChI=1S/C23H16FN3O5/c1-32-23(31)13-4-2-5-15(12-13)26-21(29)18-19(28)17-6-3-11-25-20(17)27(22(18)30)16-9-7-14(24)8-10-16/h2-12,28H,1H3,(H,26,29)

InChI Key

RPICXZSZDCPEOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27611825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.917

Distribution Coefficient, logD

-1.707

Water Solubility, LogSw

-3.63

Polar Surface Area

84.397

Acid Dissociation Constant (pKa)

2.78

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

P682-0645 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
  • 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 P682-0645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P682-0645?
Check Price and Availability of P682-0645, 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 P682-0645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P682-0645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P682-0645
  • 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 P682-0645 available by request