M358-0054 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[4-(dimethylsulfamoyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}benzamide

M358-0054 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[4-(dimethylsulfamoyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}benzamide
M358-0054 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[4-(dimethylsulfamoyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M358-0054
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[4-(dimethylsulfamoyl)-3,5-dimethyl-1H-pyrazol-1-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

M358-0054

Molecular Formula

C23H26N4O5S (C23 H26 N4 O5 S)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-{[4-(dimethylsulfamoyl)-35-dimethyl-1H-pyrazol-1-yl]methyl}benzamide

SMILES

Cc(n(Cc(cc1)ccc1C(NCc(cc1)cc2c1OCO2)=O)nc1C)c1S(N(C)C)(=O)=O

InChI

InChI=1S/C23H26N4O5S/c1-15-22(33(29,30)26(3)4)16(2)27(25-15)13-17-5-8-19(9-6-17)23(28)24-12-18-7-10-20-21(11-18)32-14-31-20/h5-11H,12-14H2,1-4H3,(H,24,28)

InChI Key

CEWFITWHVHTFAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27538622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.735

Distribution Coefficient, logD

1.735

Water Solubility, LogSw

-2.75

Polar Surface Area

89.713

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

M358-0054 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with M358-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M358-0054?
Check Price and Availability of M358-0054, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M358-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M358-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M358-0054
  • 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 M358-0054 available by request