D501-0108 Screening compound: N-benzyl-1-{[(2,5-difluorophenyl)carbamoyl]methyl}-2-oxo-1,2-dihydroquinoline-4-carboxamide

D501-0108 Screening compound: N-benzyl-1-{[(2,5-difluorophenyl)carbamoyl]methyl}-2-oxo-1,2-dihydroquinoline-4-carboxamide
D501-0108 Screening compound: N-benzyl-1-{[(2,5-difluorophenyl)carbamoyl]methyl}-2-oxo-1,2-dihydroquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D501-0108
N-benzyl-1-{[(2,5-difluorophenyl)carbamoyl]methyl}-2-oxo-1,2-dihydroquinoline-4-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

D501-0108

Molecular Formula

C25H19F2N3O3 (C25 H19 F2 N3 O3)

Compound Name

N-benzyl-1-{[(2,5-difluorophenyl)carbamoyl]methyl}-2-oxo-1,2-dihydroquinoline-4-carboxamide

IUPAC name

N-benzyl-1-{[(25-difluorophenyl)carbamoyl]methyl}-2-oxo-12-dihydroquinoline-4-carboxamide

SMILES

O=C(CN(c(cccc1)c1C(C(NCc1ccccc1)=O)=C1)C1=O)Nc(cc(cc1)F)c1F

InChI

InChI=1S/C25H19F2N3O3/c26-17-10-11-20(27)21(12-17)29-23(31)15-30-22-9-5-4-8-18(22)19(13-24(30)32)25(33)28-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,28,33)(H,29,31)

InChI Key

DOFFDCSNDFYXMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.198

Distribution Coefficient, logD

3.188

Water Solubility, LogSw

-3.72

Polar Surface Area

62.484

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

D501-0108 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D501-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D501-0108?
Check Price and Availability of D501-0108, 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 D501-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D501-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D501-0108
  • 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 D501-0108 available by request