M358-0522 Screening compound: 4-{[3,5-dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide

M358-0522 Screening compound: 4-{[3,5-dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
M358-0522 Screening compound: 4-{[3,5-dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M358-0522
4-{[3,5-dimethyl-4-(piperidine-1-sulfonyl)-1H-pyrazol-1-yl]methyl}-N-[(oxolan-2-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

M358-0522

Molecular Formula

C23H32N4O4S (C23 H32 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(n(Cc(cc1)ccc1C(NCC1OCCC1)=O)nc1C)c1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C23H32N4O4S/c1-17-22(32(29,30)26-12-4-3-5-13-26)18(2)27(25-17)16-19-8-10-20(11-9-19)23(28)24-15-21-7-6-14-31-21/h8-11,21H,3-7,12-16H2,1-2H3,(H,24,28)/t21-/m1/s1

InChI Key

CKKDZGQIJDOGFY-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD27538694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.6

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

1.158

Distribution Coefficient, logD

1.158

Water Solubility, LogSw

-2.37

Polar Surface Area

79.299

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.50

M358-0522 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 M358-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M358-0522?
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What is the minimum amount of M358-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M358-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M358-0522
  • 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 M358-0522 available by request