C361-2392 Screening compound: 4-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole

C361-2392 Screening compound: 4-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole
C361-2392 Screening compound: 4-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-2392
4-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-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

C361-2392

Molecular Formula

C23H26ClN5O3S2 (C23 H26 ClN5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(C(CC1)CCN1S(c1cccc2nsnc12)(=O)=O)=O

InChI

InChI=1S/C23H26ClN5O3S2/c1-16-5-6-18(24)15-20(16)27-11-13-28(14-12-27)23(30)17-7-9-29(10-8-17)34(31,32)21-4-2-3-19-22(21)26-33-25-19/h2-6,15,17H,7-14H2,1H3

InChI Key

XCIUUWSKENRCED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.08

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.186

Distribution Coefficient, logD

4.185

Water Solubility, LogSw

-4.53

Polar Surface Area

72.510

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

C361-2392 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C361-2392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-2392?
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What is the minimum amount of C361-2392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-2392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-2392
  • 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 C361-2392 available by request