C436-1787 Screening compound: N-{2-[4-(4-CHLOROPHENYL)PIPERAZINO]-2-OXOETHYL}-N-(4-METHYLPHENYL)-2-THIOPHENESULFONAMIDE

C436-1787 Screening compound: N-{2-[4-(4-CHLOROPHENYL)PIPERAZINO]-2-OXOETHYL}-N-(4-METHYLPHENYL)-2-THIOPHENESULFONAMIDE
C436-1787 Screening compound: N-{2-[4-(4-CHLOROPHENYL)PIPERAZINO]-2-OXOETHYL}-N-(4-METHYLPHENYL)-2-THIOPHENESULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C436-1787
N-{2-[4-(4-CHLOROPHENYL)PIPERAZINO]-2-OXOETHYL}-N-(4-METHYLPHENYL)-2-THIOPHENESULFONAMIDE

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

C436-1787

Molecular Formula

C23H24ClN3O3S2 (C23 H24 ClN3 O3 S2)

Compound Name

N-{2-[4-(4-CHLOROPHENYL)PIPERAZINO]-2-OXOETHYL}-N-(4-METHYLPHENYL)-2-THIOPHENESULFONAMIDE

IUPAC name

n/a

SMILES

Cc(cc1)ccc1N(CC(N(CC1)CCN1c(cc1)ccc1Cl)=O)S(c1cccs1)(=O)=O

InChI

InChI=1S/C23H24ClN3O3S2/c1-18-4-8-21(9-5-18)27(32(29,30)23-3-2-16-31-23)17-22(28)26-14-12-25(13-15-26)20-10-6-19(24)7-11-20/h2-11,16H,12-15,17H2,1H3

InChI Key

SRGHGNNJPLTLTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.05

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.440

Distribution Coefficient, logD

4.440

Water Solubility, LogSw

-4.59

Polar Surface Area

52.463

Acid Dissociation Constant (pKa)

20.71

Base Dissociation Constant (pKb)

5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C436-1787 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C436-1787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C436-1787?
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What is the minimum amount of C436-1787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C436-1787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C436-1787
  • 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 C436-1787 available by request