C481-1783 Screening compound: N-{2-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide

C481-1783 Screening compound: N-{2-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide
C481-1783 Screening compound: N-{2-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-1783
N-{2-[3,5-dioxo-4-(2-phenylethyl)piperazin-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

C481-1783

Molecular Formula

C21H21N5O5S2 (C21 H21 N5 O5 S2)

Compound Name

N-{2-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide

IUPAC name

N-{2-[35-dioxo-4-(2-phenylethyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-213-benzothiadiazole-4-sulfonamide

SMILES

CN(CC(N(CC(N1CCc2ccccc2)=O)CC1=O)=O)S(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C21H21N5O5S2/c1-24(33(30,31)17-9-5-8-16-21(17)23-32-22-16)12-18(27)25-13-19(28)26(20(29)14-25)11-10-15-6-3-2-4-7-15/h2-9H,10-14H2,1H3

InChI Key

TZTYENLLFUCUBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.831

Distribution Coefficient, logD

0.831

Water Solubility, LogSw

-1.97

Polar Surface Area

99.515

Acid Dissociation Constant (pKa)

21.59

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C481-1783 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C481-1783 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C481-1783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-1783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-1783
  • 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 C481-1783 available by request