C361-2572 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide

C361-2572 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
C361-2572 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-2572
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide

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

C361-2572

Molecular Formula

C24H30N6O3S2 (C24 H30 N6 O3 S2)

Compound Name

1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1S(c1cccc2nsnc12)(=O)=O)NCCN(CC1)CCN1c1ccccc1

InChI

InChI=1S/C24H30N6O3S2/c31-24(25-11-14-28-15-17-29(18-16-28)20-5-2-1-3-6-20)19-9-12-30(13-10-19)35(32,33)22-8-4-7-21-23(22)27-34-26-21/h1-8,19H,9-18H2,(H,25,31)

InChI Key

FDMSIPBMFWUVIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.397

Distribution Coefficient, logD

2.251

Water Solubility, LogSw

-2.65

Polar Surface Area

84.400

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

C361-2572 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C361-2572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-2572?
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What is the minimum amount of C361-2572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-2572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-2572
  • 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 C361-2572 available by request