8017-7725 Screening compound: [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl][3,4-dihydro-1(2H)-quinolinyl]methanone

8017-7725 Screening compound: [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl][3,4-dihydro-1(2H)-quinolinyl]methanone
8017-7725 Screening compound: [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl][3,4-dihydro-1(2H)-quinolinyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7725
[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl][3,4-dihydro-1(2H)-quinolinyl]methanone

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

8017-7725

Molecular Formula

C20H16ClFN2O2 (C20 H16 ClFN2 O2)

Compound Name

[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl][3,4-dihydro-1(2H)-quinolinyl]methanone

IUPAC name

1-[3-(2-chloro-6-fluorophenyl)-5-methyl-12-oxazole-4-carbonyl]-1234-tetrahydroquinoline

SMILES

Cc1c(C(N(CCC2)c3c2cccc3)=O)c(-c(c(F)ccc2)c2Cl)no1

InChI

InChI=1S/C20H16ClFN2O2/c1-12-17(19(23-26-12)18-14(21)8-4-9-15(18)22)20(25)24-11-5-7-13-6-2-3-10-16(13)24/h2-4,6,8-10H,5,7,11H2,1H3

InChI Key

QQXOPZRYBYAQHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02715822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.288

Distribution Coefficient, logD

4.288

Water Solubility, LogSw

-4.73

Polar Surface Area

37.511

Acid Dissociation Constant (pKa)

25.26

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8017-7725 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Lipid Metabolism Library (9174 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8017-7725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7725?
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What is the minimum amount of 8017-7725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7725
  • 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 8017-7725 available by request