P682-0836 Screening compound: 1-benzyl-N-[(2,4-difluorophenyl)methyl]-4-hydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide

P682-0836 Screening compound: 1-benzyl-N-[(2,4-difluorophenyl)methyl]-4-hydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
P682-0836 Screening compound: 1-benzyl-N-[(2,4-difluorophenyl)methyl]-4-hydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P682-0836
1-benzyl-N-[(2,4-difluorophenyl)methyl]-4-hydroxy-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

P682-0836

Molecular Formula

C23H17F2N3O3 (C23 H17 F2 N3 O3)

Compound Name

1-benzyl-N-[(2,4-difluorophenyl)methyl]-4-hydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide

IUPAC name

1-benzyl-N-[(24-difluorophenyl)methyl]-4-hydroxy-2-oxo-12-dihydro-18-naphthyridine-3-carboxamide

SMILES

OC(c1c(N2Cc3ccccc3)nccc1)=C(C(NCc(ccc(F)c1)c1F)=O)C2=O

InChI

InChI=1S/C23H17F2N3O3/c24-16-9-8-15(18(25)11-16)12-27-22(30)19-20(29)17-7-4-10-26-21(17)28(23(19)31)13-14-5-2-1-3-6-14/h1-11,29H,12-13H2,(H,27,30)

InChI Key

PBMXKQUGWZODNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20526685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.213

Distribution Coefficient, logD

0.285

Water Solubility, LogSw

-3.61

Polar Surface Area

65.156

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

P682-0836 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Hsp90-Targeted Library (11355 compounds)

SmartTM Library (51161 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
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with P682-0836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P682-0836?
Check Price and Availability of P682-0836, 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 P682-0836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P682-0836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P682-0836
  • 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 P682-0836 available by request