M358-1289 Screening compound: 4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-[(2-methylphenyl)methyl]benzamide

M358-1289 Screening compound: 4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-[(2-methylphenyl)methyl]benzamide
M358-1289 Screening compound: 4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-[(2-methylphenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M358-1289
4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-[(2-methylphenyl)methyl]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

M358-1289

Molecular Formula

C27H34N4O3S (C27 H34 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(n(Cc(cc1)ccc1C(NCc1c(C)cccc1)=O)nc1C)c1S(N1CCCCCC1)(=O)=O

InChI

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

InChI Key

SBTHRBOBDBCDGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27538845

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

3.991

Distribution Coefficient, logD

3.991

Water Solubility, LogSw

-3.97

Polar Surface Area

70.976

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

M358-1289 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 M358-1289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M358-1289?
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What is the minimum amount of M358-1289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M358-1289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M358-1289
  • 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 M358-1289 available by request