M358-1128 Screening compound: 4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-[(pyridin-3-yl)methyl]benzamide

M358-1128 Screening compound: 4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-[(pyridin-3-yl)methyl]benzamide
M358-1128 Screening compound: 4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-[(pyridin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M358-1128
4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-[(pyridin-3-yl)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

M358-1128

Molecular Formula

C25H31N5O3S (C25 H31 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(n(Cc(cc1)ccc1C(NCc1cnccc1)=O)nc1C)c1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C25H31N5O3S/c1-19-24(34(32,33)29-14-5-3-4-6-15-29)20(2)30(28-19)18-21-9-11-23(12-10-21)25(31)27-17-22-8-7-13-26-16-22/h7-13,16H,3-6,14-15,17-18H2,1-2H3,(H,27,31)

InChI Key

ZBXBTNZXVVHOLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27538814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.875

Distribution Coefficient, logD

1.875

Water Solubility, LogSw

-2.14

Polar Surface Area

80.493

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

M358-1128 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Antibacterial Compounds Library (13827 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M358-1128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M358-1128?
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What is the minimum amount of M358-1128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M358-1128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M358-1128
  • 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 M358-1128 available by request