C113-0450 Screening compound: 4-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

C113-0450 Screening compound: 4-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-2,1,3-benzothiadiazole
C113-0450 Screening compound: 4-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C113-0450
4-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

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

C113-0450

Molecular Formula

C17H17ClN4O2S2 (C17 H17 ClN4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1S(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C17H17ClN4O2S2/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

MUDZTYOWGQAHMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05086231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.211

Distribution Coefficient, logD

4.211

Water Solubility, LogSw

-4.48

Polar Surface Area

55.861

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

C113-0450 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C113-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C113-0450?
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What is the minimum amount of C113-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C113-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C113-0450
  • 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 C113-0450 available by request