M461-3005 Screening compound: 3-{[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl}-N-(3-fluoro-4-methylphenyl)-1-methyl-1H-pyrazole-4-carboxamide

M461-3005 Screening compound: 3-{[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl}-N-(3-fluoro-4-methylphenyl)-1-methyl-1H-pyrazole-4-carboxamide
M461-3005 Screening compound: 3-{[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl}-N-(3-fluoro-4-methylphenyl)-1-methyl-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M461-3005
3-{[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl}-N-(3-fluoro-4-methylphenyl)-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

M461-3005

Molecular Formula

C22H23ClFN5O3S (C22 H23 ClFN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(NC(c1cn(C)nc1S(N(CC1)CCN1c(cc1)ccc1Cl)(=O)=O)=O)c1)c1F

InChI

InChI=1S/C22H23ClFN5O3S/c1-15-3-6-17(13-20(15)24)25-21(30)19-14-27(2)26-22(19)33(31,32)29-11-9-28(10-12-29)18-7-4-16(23)5-8-18/h3-8,13-14H,9-12H2,1-2H3,(H,25,30)

InChI Key

VIMYZLFVBZEWMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.97

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

3.728

Distribution Coefficient, logD

3.668

Water Solubility, LogSw

-4.37

Polar Surface Area

73.431

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

M461-3005 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M461-3005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M461-3005?
Check Price and Availability of M461-3005, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M461-3005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M461-3005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M461-3005
  • 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 M461-3005 available by request