C481-0621 Screening compound: N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide

C481-0621 Screening compound: N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
C481-0621 Screening compound: N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-0621
N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide

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

C481-0621

Molecular Formula

C19H21N5O3S2 (C19 H21 N5 O3 S2)

Compound Name

N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide

IUPAC name

N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-213-benzothiadiazole-4-sulfonamide

SMILES

CN(CC(N(CC1)CCN1c1ccccc1)=O)S(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C19H21N5O3S2/c1-22(29(26,27)17-9-5-8-16-19(17)21-28-20-16)14-18(25)24-12-10-23(11-13-24)15-6-3-2-4-7-15/h2-9H,10-14H2,1H3

InChI Key

KZCPJXFUHZUTKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.135

Distribution Coefficient, logD

2.135

Water Solubility, LogSw

-2.44

Polar Surface Area

73.408

Acid Dissociation Constant (pKa)

23.00

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C481-0621 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C481-0621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-0621?
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What is the minimum amount of C481-0621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-0621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-0621
  • 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 C481-0621 available by request