M461-2962 Screening compound: 3-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-N-(3-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxamide

M461-2962 Screening compound: 3-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-N-(3-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxamide
M461-2962 Screening compound: 3-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-N-(3-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M461-2962
3-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-N-(3-fluorophenyl)-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

M461-2962

Molecular Formula

C21H21ClFN5O3S (C21 H21 ClFN5 O3 S)

Compound Name

3-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-N-(3-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxamide

IUPAC name

3-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-N-(3-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxamide

SMILES

Cn(cc1C(Nc2cc(F)ccc2)=O)nc1S(N(CC1)CCN1c1cccc(Cl)c1)(=O)=O

InChI

InChI=1S/C21H21ClFN5O3S/c1-26-14-19(20(29)24-17-6-3-5-16(23)13-17)21(25-26)32(30,31)28-10-8-27(9-11-28)18-7-2-4-15(22)12-18/h2-7,12-14H,8-11H2,1H3,(H,24,29)

InChI Key

CQYRVGCYTVBSQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.95

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

3.099

Distribution Coefficient, logD

3.053

Water Solubility, LogSw

-3.69

Polar Surface Area

73.431

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

M461-2962 in Drug Discovery

Included in Screening Libraries

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 M461-2962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M461-2962?
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What is the minimum amount of M461-2962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M461-2962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M461-2962
  • 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 M461-2962 available by request