M461-6541 Screening compound: 3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-[3-(dimethylamino)propyl]-1-methyl-1H-pyrazole-4-carboxamide

M461-6541 Screening compound: 3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-[3-(dimethylamino)propyl]-1-methyl-1H-pyrazole-4-carboxamide
M461-6541 Screening compound: 3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-[3-(dimethylamino)propyl]-1-methyl-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M461-6541
3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-[3-(dimethylamino)propyl]-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

M461-6541

Molecular Formula

C21H31ClN6O3S (C21 H31 ClN6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H31ClN6O3S/c1-16-6-7-17(22)14-19(16)27-10-12-28(13-11-27)32(30,31)21-18(15-26(4)24-21)20(29)23-8-5-9-25(2)3/h6-7,14-15H,5,8-13H2,1-4H3,(H,23,29)

InChI Key

VKWORZLKBWCNOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.03

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.951

Distribution Coefficient, logD

-0.464

Water Solubility, LogSw

-3.21

Polar Surface Area

78.431

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

9.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

M461-6541 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M461-6541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M461-6541?
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What is the minimum amount of M461-6541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M461-6541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M461-6541
  • 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 M461-6541 available by request