M347-0054 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-3-sulfonamide

M347-0054 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-3-sulfonamide
M347-0054 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M347-0054
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-3-sulfonamide

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

M347-0054

Molecular Formula

C22H24N4O5S2 (C22 H24 N4 O5 S2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-3-sulfonamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-5-(4-methyl-13-thiazol-2-yl)-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-3-sulfonamide

SMILES

Cc1csc(-c2cc(S(NCc(cc3)cc4c3OCO4)(=O)=O)cn2CC(N2CCCC2)=O)n1

InChI

InChI=1S/C22H24N4O5S2/c1-15-13-32-22(24-15)18-9-17(11-26(18)12-21(27)25-6-2-3-7-25)33(28,29)23-10-16-4-5-19-20(8-16)31-14-30-19/h4-5,8-9,11,13,23H,2-3,6-7,10,12,14H2,1H3

InChI Key

WBOQVMOFPXEIDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27537757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.59

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

2.747

Distribution Coefficient, logD

2.747

Water Solubility, LogSw

-3.27

Polar Surface Area

86.894

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

M347-0054 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M347-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M347-0054?
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What is the minimum amount of M347-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M347-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M347-0054
  • 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 M347-0054 available by request