M347-0419 Screening compound: N-[2-(azepan-1-yl)ethyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-pyrrole-3-sulfonamide

M347-0419 Screening compound: N-[2-(azepan-1-yl)ethyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-pyrrole-3-sulfonamide
M347-0419 Screening compound: N-[2-(azepan-1-yl)ethyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-pyrrole-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M347-0419
N-[2-(azepan-1-yl)ethyl]-5-(4-methyl-1,3-thiazol-2-yl)-1-[2-oxo-2-(piperidin-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

M347-0419

Molecular Formula

C23H35N5O3S2 (C23 H35 N5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1csc(-c2cc(S(NCCN3CCCCCC3)(=O)=O)cn2CC(N2CCCCC2)=O)n1

InChI

InChI=1S/C23H35N5O3S2/c1-19-18-32-23(25-19)21-15-20(16-28(21)17-22(29)27-12-7-4-8-13-27)33(30,31)24-9-14-26-10-5-2-3-6-11-26/h15-16,18,24H,2-14,17H2,1H3

InChI Key

QVKRLOXRMNOKON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27537939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.69

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

2.921

Distribution Coefficient, logD

2.160

Water Solubility, LogSw

-3.31

Polar Surface Area

73.567

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

8.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.20

M347-0419 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with M347-0419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M347-0419?
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What is the minimum amount of M347-0419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M347-0419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M347-0419
  • 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 M347-0419 available by request