C274-0447 Screening compound: 1-{1-[(5-bromothiophen-2-yl)sulfonyl]piperidine-4-carbonyl}-4-cyclohexylpiperazine

C274-0447 Screening compound: 1-{1-[(5-bromothiophen-2-yl)sulfonyl]piperidine-4-carbonyl}-4-cyclohexylpiperazine
C274-0447 Screening compound: 1-{1-[(5-bromothiophen-2-yl)sulfonyl]piperidine-4-carbonyl}-4-cyclohexylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C274-0447
1-{1-[(5-bromothiophen-2-yl)sulfonyl]piperidine-4-carbonyl}-4-cyclohexylpiperazine

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

C274-0447

Molecular Formula

C20H30BrN3O3S2 (C20 H30 BrN3 O3 S2)

Compound Name

1-{1-[(5-bromothiophen-2-yl)sulfonyl]piperidine-4-carbonyl}-4-cyclohexylpiperazine

IUPAC name

1-{1-[(5-bromothiophen-2-yl)sulfonyl]piperidine-4-carbonyl}-4-cyclohexylpiperazine

SMILES

O=C(C(CC1)CCN1S(c(s1)ccc1Br)(=O)=O)N(CC1)CCN1C1CCCCC1

InChI

InChI=1S/C20H30BrN3O3S2/c21-18-6-7-19(28-18)29(26,27)24-10-8-16(9-11-24)20(25)23-14-12-22(13-15-23)17-4-2-1-3-5-17/h6-7,16-17H,1-5,8-15H2

InChI Key

RAHCKECIYKCEPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.534

Distribution Coefficient, logD

3.121

Water Solubility, LogSw

-3.42

Polar Surface Area

52.709

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

C274-0447 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C274-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C274-0447?
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What is the minimum amount of C274-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C274-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C274-0447
  • 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 C274-0447 available by request