M358-0487 Screening compound: 4-{[3,5-dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-yl]methyl}-N-(3-fluorophenyl)benzamide

M358-0487 Screening compound: 4-{[3,5-dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-yl]methyl}-N-(3-fluorophenyl)benzamide
M358-0487 Screening compound: 4-{[3,5-dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-yl]methyl}-N-(3-fluorophenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M358-0487
4-{[3,5-dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-yl]methyl}-N-(3-fluorophenyl)benzamide

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

M358-0487

Molecular Formula

C24H27FN4O3S (C24 H27 FN4 O3 S)

Compound Name

4-{[3,5-dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-yl]methyl}-N-(3-fluorophenyl)benzamide

IUPAC name

4-{[35-dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-yl]methyl}-N-(3-fluorophenyl)benzamide

SMILES

Cc(n(Cc(cc1)ccc1C(Nc1cc(F)ccc1)=O)nc1C)c1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C24H27FN4O3S/c1-17-23(33(31,32)28-13-4-3-5-14-28)18(2)29(27-17)16-19-9-11-20(12-10-19)24(30)26-22-8-6-7-21(25)15-22/h6-12,15H,3-5,13-14,16H2,1-2H3,(H,26,30)

InChI Key

NWNXVHHNRGFILM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27538679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.095

Distribution Coefficient, logD

3.088

Water Solubility, LogSw

-3.40

Polar Surface Area

69.322

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M358-0487 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M358-0487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M358-0487?
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What is the minimum amount of M358-0487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M358-0487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M358-0487
  • 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 M358-0487 available by request