C113-0105 Screening compound: 4-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-2,1,3-benzoxadiazole

C113-0105 Screening compound: 4-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-2,1,3-benzoxadiazole
C113-0105 Screening compound: 4-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-2,1,3-benzoxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C113-0105
4-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-2,1,3-benzoxadiazole

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

C113-0105

Molecular Formula

C17H17ClN4O3S (C17 H17 ClN4 O3 S)

Compound Name

4-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-2,1,3-benzoxadiazole

IUPAC name

4-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-213-benzoxadiazole

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1S(c1cccc2nonc12)(=O)=O

InChI

InChI=1S/C17H17ClN4O3S/c1-12-5-6-13(18)11-15(12)21-7-9-22(10-8-21)26(23,24)16-4-2-3-14-17(16)20-25-19-14/h2-6,11H,7-10H2,1H3

InChI Key

FCKQDCRKCDTNEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03114860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.234

Distribution Coefficient, logD

4.234

Water Solubility, LogSw

-4.48

Polar Surface Area

70.999

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

C113-0105 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Agro:
  • Agro
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C113-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C113-0105?
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What is the minimum amount of C113-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C113-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C113-0105
  • 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 C113-0105 available by request