C079-0050 Screening compound: N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzamide

C079-0050 Screening compound: N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzamide
C079-0050 Screening compound: N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C079-0050
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzamide

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

C079-0050

Molecular Formula

C24H19FN4O4S (C24 H19 FN4 O4 S)

Compound Name

N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzamide

IUPAC name

N-[5-(4-fluorophenyl)-134-oxadiazol-2-yl]-4-(1234-tetrahydroquinoline-1-sulfonyl)benzamide

SMILES

O=C(c(cc1)ccc1S(N(CCC1)c2c1cccc2)(=O)=O)Nc1nnc(-c(cc2)ccc2F)o1

InChI

InChI=1S/C24H19FN4O4S/c25-19-11-7-18(8-12-19)23-27-28-24(33-23)26-22(30)17-9-13-20(14-10-17)34(31,32)29-15-3-5-16-4-1-2-6-21(16)29/h1-2,4,6-14H,3,5,15H2,(H,26,28,30)

InChI Key

MIHBGRVLYYFOCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.419

Distribution Coefficient, logD

3.333

Water Solubility, LogSw

-3.87

Polar Surface Area

86.310

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C079-0050 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Agro:
  • Agro
  • Agro
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C079-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C079-0050?
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What is the minimum amount of C079-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C079-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C079-0050
  • 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 C079-0050 available by request