C361-2427 Screening compound: 4-{[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

C361-2427 Screening compound: 4-{[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole
C361-2427 Screening compound: 4-{[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-2427
4-{[4-(4-benzylpiperazine-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

C361-2427

Molecular Formula

C23H27N5O3S2 (C23 H27 N5 O3 S2)

Compound Name

4-{[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

IUPAC name

4-{[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl}-213-benzothiadiazole

SMILES

O=C(C(CC1)CCN1S(c1cccc2nsnc12)(=O)=O)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C23H27N5O3S2/c29-23(27-15-13-26(14-16-27)17-18-5-2-1-3-6-18)19-9-11-28(12-10-19)33(30,31)21-8-4-7-20-22(21)25-32-24-20/h1-8,19H,9-17H2

InChI Key

NXZKVNRWXCVDHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.584

Distribution Coefficient, logD

2.532

Water Solubility, LogSw

-2.71

Polar Surface Area

73.091

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

C361-2427 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 C361-2427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-2427?
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What is the minimum amount of C361-2427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-2427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-2427
  • 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 C361-2427 available by request