M358-0705 Screening compound: 4-({3,5-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}methyl)-N-(2-ethylphenyl)benzamide

M358-0705 Screening compound: 4-({3,5-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}methyl)-N-(2-ethylphenyl)benzamide
M358-0705 Screening compound: 4-({3,5-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}methyl)-N-(2-ethylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M358-0705
4-({3,5-dimethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazol-1-yl}methyl)-N-(2-ethylphenyl)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

M358-0705

Molecular Formula

C27H34N4O3S (C27 H34 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cccc1)c1NC(c1ccc(Cn2nc(C)c(S(N3CCC(C)CC3)(=O)=O)c2C)cc1)=O

InChI

InChI=1S/C27H34N4O3S/c1-5-23-8-6-7-9-25(23)28-27(32)24-12-10-22(11-13-24)18-31-21(4)26(20(3)29-31)35(33,34)30-16-14-19(2)15-17-30/h6-13,19H,5,14-18H2,1-4H3,(H,28,32)

InChI Key

NTRDITQXJRGPPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27538742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.113

Distribution Coefficient, logD

4.113

Water Solubility, LogSw

-3.99

Polar Surface Area

68.625

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

M358-0705 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 M358-0705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M358-0705?
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What is the minimum amount of M358-0705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M358-0705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M358-0705
  • 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 M358-0705 available by request