C361-2563 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide

C361-2563 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
C361-2563 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-2563
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(4-methylpiperidin-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

C361-2563

Molecular Formula

C20H29N5O3S2 (C20 H29 N5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CC1CCN(CCNC(C(CC2)CCN2S(c2cccc3nsnc23)(=O)=O)=O)CC1

InChI

InChI=1S/C20H29N5O3S2/c1-15-5-10-24(11-6-15)14-9-21-20(26)16-7-12-25(13-8-16)30(27,28)18-4-2-3-17-19(18)23-29-22-17/h2-4,15-16H,5-14H2,1H3,(H,21,26)

InChI Key

AQKXEKWXVPBNKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.164

Distribution Coefficient, logD

0.490

Water Solubility, LogSw

-2.54

Polar Surface Area

81.139

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

9.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

C361-2563 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C361-2563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-2563?
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What is the minimum amount of C361-2563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-2563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-2563
  • 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 C361-2563 available by request