M358-1194 Screening compound: 4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-(2-methoxyethyl)benzamide

M358-1194 Screening compound: 4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-(2-methoxyethyl)benzamide
M358-1194 Screening compound: 4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-(2-methoxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M358-1194
4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-(2-methoxyethyl)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

M358-1194

Molecular Formula

C22H32N4O4S (C22 H32 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(n(Cc(cc1)ccc1C(NCCOC)=O)nc1C)c1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C22H32N4O4S/c1-17-21(31(28,29)25-13-6-4-5-7-14-25)18(2)26(24-17)16-19-8-10-20(11-9-19)22(27)23-12-15-30-3/h8-11H,4-7,12-16H2,1-3H3,(H,23,27)

InChI Key

ZWYOTKINBRLTFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27538831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.596

Distribution Coefficient, logD

1.596

Water Solubility, LogSw

-2.48

Polar Surface Area

79.431

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

M358-1194 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 M358-1194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M358-1194?
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What is the minimum amount of M358-1194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M358-1194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M358-1194
  • 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 M358-1194 available by request