C481-0971 Screening compound: N-[2-(4-BENZYLPIPERAZIN-1-YL)-2-OXOETHYL]-N-METHYL-2,1,3-BENZOTHIADIAZOLE-4-SULFONAMIDE

C481-0971 Screening compound: N-[2-(4-BENZYLPIPERAZIN-1-YL)-2-OXOETHYL]-N-METHYL-2,1,3-BENZOTHIADIAZOLE-4-SULFONAMIDE
C481-0971 Screening compound: N-[2-(4-BENZYLPIPERAZIN-1-YL)-2-OXOETHYL]-N-METHYL-2,1,3-BENZOTHIADIAZOLE-4-SULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-0971
N-[2-(4-BENZYLPIPERAZIN-1-YL)-2-OXOETHYL]-N-METHYL-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

C481-0971

Molecular Formula

C20H23N5O3S2 (C20 H23 N5 O3 S2)

Compound Name

N-[2-(4-BENZYLPIPERAZIN-1-YL)-2-OXOETHYL]-N-METHYL-2,1,3-BENZOTHIADIAZOLE-4-SULFONAMIDE

IUPAC name

n/a

SMILES

CN(CC(N1CCN(Cc2ccccc2)CC1)=O)S(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C20H23N5O3S2/c1-23(30(27,28)18-9-5-8-17-20(18)22-29-21-17)15-19(26)25-12-10-24(11-13-25)14-16-6-3-2-4-7-16/h2-9H,10-15H2,1H3

InChI Key

UXMDUHPTQHZKGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.816

Distribution Coefficient, logD

1.800

Water Solubility, LogSw

-2.28

Polar Surface Area

73.688

Acid Dissociation Constant (pKa)

23.00

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C481-0971 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C481-0971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-0971?
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What is the minimum amount of C481-0971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-0971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-0971
  • 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 C481-0971 available by request