M461-6891 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-3-(piperidine-1-sulfonyl)-1H-pyrazole-4-carboxamide

M461-6891 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-3-(piperidine-1-sulfonyl)-1H-pyrazole-4-carboxamide
M461-6891 Screening compound: N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-3-(piperidine-1-sulfonyl)-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M461-6891
N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-3-(piperidine-1-sulfonyl)-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

M461-6891

Molecular Formula

C17H20ClFN4O3S (C17 H20 ClFN4 O3 S)

Compound Name

N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-3-(piperidine-1-sulfonyl)-1H-pyrazole-4-carboxamide

IUPAC name

N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-3-(piperidine-1-sulfonyl)-1H-pyrazole-4-carboxamide

SMILES

Cn(cc1C(NCc(ccc(F)c2)c2Cl)=O)nc1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C17H20ClFN4O3S/c1-22-11-14(16(24)20-10-12-5-6-13(19)9-15(12)18)17(21-22)27(25,26)23-7-3-2-4-8-23/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,20,24)

InChI Key

KDOPXOBJHYWIDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.627

Distribution Coefficient, logD

2.627

Water Solubility, LogSw

-3.55

Polar Surface Area

71.493

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

M461-6891 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with M461-6891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M461-6891?
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What is the minimum amount of M461-6891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M461-6891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M461-6891
  • 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 M461-6891 available by request