M330-0458 Screening compound: 1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[4-(propan-2-yl)phenyl]-1H-pyrrole-3-sulfonamide

M330-0458 Screening compound: 1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[4-(propan-2-yl)phenyl]-1H-pyrrole-3-sulfonamide
M330-0458 Screening compound: 1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[4-(propan-2-yl)phenyl]-1H-pyrrole-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M330-0458
1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[4-(propan-2-yl)phenyl]-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

M330-0458

Molecular Formula

C24H30N4O3S2 (C24 H30 N4 O3 S2)

Compound Name

1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[4-(propan-2-yl)phenyl]-1H-pyrrole-3-sulfonamide

IUPAC name

1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-13-thiazol-2-yl]-N-[4-(propan-2-yl)phenyl]-1H-pyrrole-3-sulfonamide

SMILES

CC(C)c(cc1)ccc1NS(c1cn(C)c(-c2nc(C)c(C(N3CCCCC3)=O)s2)c1)(=O)=O

InChI

InChI=1S/C24H30N4O3S2/c1-16(2)18-8-10-19(11-9-18)26-33(30,31)20-14-21(27(4)15-20)23-25-17(3)22(32-23)24(29)28-12-6-5-7-13-28/h8-11,14-16,26H,5-7,12-13H2,1-4H3

InChI Key

FHYOGHGNFWQOPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.955

Distribution Coefficient, logD

4.954

Water Solubility, LogSw

-4.39

Polar Surface Area

70.157

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

M330-0458 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M330-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M330-0458?
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What is the minimum amount of M330-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M330-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M330-0458
  • 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 M330-0458 available by request