M358-0781 Screening compound: 4-({3,5-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}methyl)-N-(4-fluoro-2-methylphenyl)benzamide

M358-0781 Screening compound: 4-({3,5-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}methyl)-N-(4-fluoro-2-methylphenyl)benzamide
M358-0781 Screening compound: 4-({3,5-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}methyl)-N-(4-fluoro-2-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M358-0781
4-({3,5-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}methyl)-N-(4-fluoro-2-methylphenyl)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

M358-0781

Molecular Formula

C26H31FN4O3S (C26 H31 FN4 O3 S)

Compound Name

4-({3,5-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}methyl)-N-(4-fluoro-2-methylphenyl)benzamide

IUPAC name

4-({35-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}methyl)-N-(4-fluoro-2-methylphenyl)benzamide

SMILES

CC(CC1)CCN1S(c1c(C)n(Cc(cc2)ccc2C(Nc(cc2)c(C)cc2F)=O)nc1C)(=O)=O

InChI

InChI=1S/C26H31FN4O3S/c1-17-11-13-30(14-12-17)35(33,34)25-19(3)29-31(20(25)4)16-21-5-7-22(8-6-21)26(32)28-24-10-9-23(27)15-18(24)2/h5-10,15,17H,11-14,16H2,1-4H3,(H,28,32)

InChI Key

VPUIERDNRJBFGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27538757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.62

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

3.632

Distribution Coefficient, logD

3.623

Water Solubility, LogSw

-3.90

Polar Surface Area

68.625

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

M358-0781 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with M358-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M358-0781?
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What is the minimum amount of M358-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M358-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M358-0781
  • 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 M358-0781 available by request