C274-0105 Screening compound: 5-bromo-N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl}thiophene-2-sulfonamide

C274-0105 Screening compound: 5-bromo-N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl}thiophene-2-sulfonamide
C274-0105 Screening compound: 5-bromo-N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl}thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C274-0105
5-bromo-N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl}thiophene-2-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

C274-0105

Molecular Formula

C23H23BrClN3O3S2 (C23 H23 BrClN3 O3 S2)

Compound Name

5-bromo-N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl}thiophene-2-sulfonamide

IUPAC name

5-bromo-N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl}thiophene-2-sulfonamide

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(C(c1ccccc1)NS(c(s1)ccc1Br)(=O)=O)=O

InChI

InChI=1S/C23H23BrClN3O3S2/c1-16-7-8-18(25)15-19(16)27-11-13-28(14-12-27)23(29)22(17-5-3-2-4-6-17)26-33(30,31)21-10-9-20(24)32-21/h2-10,15,22,26H,11-14H2,1H3/t22-/m1/s1

InChI Key

ZLVZBVFMHQBKIZ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14740100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.376

Distribution Coefficient, logD

5.365

Water Solubility, LogSw

-5.94

Polar Surface Area

62.188

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

C274-0105 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 C274-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C274-0105?
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What is the minimum amount of C274-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C274-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C274-0105
  • 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 C274-0105 available by request