M461-6105 Screening compound: 3-{[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl}-N-cyclohexyl-1-propyl-1H-pyrazole-4-carboxamide

M461-6105 Screening compound: 3-{[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl}-N-cyclohexyl-1-propyl-1H-pyrazole-4-carboxamide
M461-6105 Screening compound: 3-{[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl}-N-cyclohexyl-1-propyl-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M461-6105
3-{[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl}-N-cyclohexyl-1-propyl-1H-pyrazole-4-carboxamide

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

M461-6105

Molecular Formula

C23H32ClN5O3S (C23 H32 ClN5 O3 S)

Compound Name

3-{[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl}-N-cyclohexyl-1-propyl-1H-pyrazole-4-carboxamide

IUPAC name

3-{[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl}-N-cyclohexyl-1-propyl-1H-pyrazole-4-carboxamide

SMILES

CCCn(cc1C(NC2CCCCC2)=O)nc1S(N(CC1)CCN1c(cccc1)c1Cl)(=O)=O

InChI

InChI=1S/C23H32ClN5O3S/c1-2-12-28-17-19(22(30)25-18-8-4-3-5-9-18)23(26-28)33(31,32)29-15-13-27(14-16-29)21-11-7-6-10-20(21)24/h6-7,10-11,17-18H,2-5,8-9,12-16H2,1H3,(H,25,30)

InChI Key

AVYKDMUSJUSSDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22593578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.06

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.264

Distribution Coefficient, logD

4.264

Water Solubility, LogSw

-4.47

Polar Surface Area

74.124

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

M461-6105 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M461-6105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M461-6105?
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What is the minimum amount of M461-6105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M461-6105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M461-6105
  • 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 M461-6105 available by request