C166-0102 Screening compound: N-{1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}thiophene-2-sulfonamide

C166-0102 Screening compound: N-{1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}thiophene-2-sulfonamide
C166-0102 Screening compound: N-{1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C166-0102
N-{1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}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

C166-0102

Molecular Formula

C25H29N3O3S2 (C25 H29 N3 O3 S2)

Compound Name

N-{1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}thiophene-2-sulfonamide

IUPAC name

N-{1-[4-(23-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl}thiophene-2-sulfonamide

SMILES

Cc1cccc(N(CC2)CCN2C(C(Cc2ccccc2)NS(c2cccs2)(=O)=O)=O)c1C

InChI

InChI=1S/C25H29N3O3S2/c1-19-8-6-11-23(20(19)2)27-13-15-28(16-14-27)25(29)22(18-21-9-4-3-5-10-21)26-33(30,31)24-12-7-17-32-24/h3-12,17,22,26H,13-16,18H2,1-2H3/t22-/m0/s1

InChI Key

KBAQUBCGYQHKIU-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14723496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.633

Distribution Coefficient, logD

4.633

Water Solubility, LogSw

-4.29

Polar Surface Area

62.467

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

C166-0102 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C166-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C166-0102?
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What is the minimum amount of C166-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C166-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C166-0102
  • 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 C166-0102 available by request