M461-6518 Screening compound: 3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-cyclohexyl-1-methyl-1H-pyrazole-4-carboxamide

M461-6518 Screening compound: 3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-cyclohexyl-1-methyl-1H-pyrazole-4-carboxamide
M461-6518 Screening compound: 3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-cyclohexyl-1-methyl-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M461-6518
3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-cyclohexyl-1-methyl-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

M461-6518

Molecular Formula

C22H30ClN5O3S (C22 H30 ClN5 O3 S)

Compound Name

3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-cyclohexyl-1-methyl-1H-pyrazole-4-carboxamide

IUPAC name

3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-cyclohexyl-1-methyl-1H-pyrazole-4-carboxamide

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1S(c1nn(C)cc1C(NC1CCCCC1)=O)(=O)=O

InChI

InChI=1S/C22H30ClN5O3S/c1-16-8-9-17(23)14-20(16)27-10-12-28(13-11-27)32(30,31)22-19(15-26(2)25-22)21(29)24-18-6-4-3-5-7-18/h8-9,14-15,18H,3-7,10-13H2,1-2H3,(H,24,29)

InChI Key

XDCHPIBSDBLIEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22593623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.03

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.952

Distribution Coefficient, logD

3.952

Water Solubility, LogSw

-4.36

Polar Surface Area

74.178

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

References: we are preparing a list of scientific research reports with M461-6518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M461-6518?
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What is the minimum amount of M461-6518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M461-6518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M461-6518
  • 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 M461-6518 available by request