C444-0187 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide

C444-0187 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
C444-0187 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-0187
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-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

C444-0187

Molecular Formula

C20H23N5O5S3 (C20 H23 N5 O5 S3)

Compound Name

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

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide

SMILES

NS(c1ccc(CCNC(C(CCC2)CN2S(c2cccc3nsnc23)(=O)=O)=O)cc1)(=O)=O

InChI

InChI=1S/C20H23N5O5S3/c21-32(27,28)16-8-6-14(7-9-16)10-11-22-20(26)15-3-2-12-25(13-15)33(29,30)18-5-1-4-17-19(18)24-31-23-17/h1,4-9,15H,2-3,10-13H2,(H,22,26)(H2,21,27,28)/t15-/m0/s1

InChI Key

MHYWOQJWJFDYEP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14758137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.63

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.805

Distribution Coefficient, logD

0.804

Water Solubility, LogSw

-2.21

Polar Surface Area

127.693

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

C444-0187 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C444-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-0187?
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What is the minimum amount of C444-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-0187
  • 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 C444-0187 available by request