M461-6532 Screening compound: 3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-1-methyl-N-[(pyridin-3-yl)methyl]-1H-pyrazole-4-carboxamide

M461-6532 Screening compound: 3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-1-methyl-N-[(pyridin-3-yl)methyl]-1H-pyrazole-4-carboxamide
M461-6532 Screening compound: 3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-1-methyl-N-[(pyridin-3-yl)methyl]-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M461-6532
3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-1-methyl-N-[(pyridin-3-yl)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

M461-6532

Molecular Formula

C22H25ClN6O3S (C22 H25 ClN6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1S(c1nn(C)cc1C(NCc1cnccc1)=O)(=O)=O

InChI

InChI=1S/C22H25ClN6O3S/c1-16-5-6-18(23)12-20(16)28-8-10-29(11-9-28)33(31,32)22-19(15-27(2)26-22)21(30)25-14-17-4-3-7-24-13-17/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,25,30)

InChI Key

WOQDAYMLIANCBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22593628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.381

Distribution Coefficient, logD

2.381

Water Solubility, LogSw

-3.51

Polar Surface Area

83.970

Acid Dissociation Constant (pKa)

11.51

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

M461-6532 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M461-6532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M461-6532?
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What is the minimum amount of M461-6532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M461-6532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M461-6532
  • 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 M461-6532 available by request