M022-1782 Screening compound: 1-{[4-(4-tert-butyl-1,3-thiazol-2-yl)thiophen-2-yl]sulfonyl}-4-(1-methylpiperidin-4-yl)piperazine

M022-1782 Screening compound: 1-{[4-(4-tert-butyl-1,3-thiazol-2-yl)thiophen-2-yl]sulfonyl}-4-(1-methylpiperidin-4-yl)piperazine
M022-1782 Screening compound: 1-{[4-(4-tert-butyl-1,3-thiazol-2-yl)thiophen-2-yl]sulfonyl}-4-(1-methylpiperidin-4-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound M022-1782
1-{[4-(4-tert-butyl-1,3-thiazol-2-yl)thiophen-2-yl]sulfonyl}-4-(1-methylpiperidin-4-yl)piperazine

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

M022-1782

Molecular Formula

C21H32N4O2S3 (C21 H32 N4 O2 S3)

Compound Name

1-{[4-(4-tert-butyl-1,3-thiazol-2-yl)thiophen-2-yl]sulfonyl}-4-(1-methylpiperidin-4-yl)piperazine

IUPAC name

1-{[4-(4-tert-butyl-13-thiazol-2-yl)thiophen-2-yl]sulfonyl}-4-(1-methylpiperidin-4-yl)piperazine

SMILES

CC(C)(C)c1csc(-c2csc(S(N(CC3)CCN3C3CCN(C)CC3)(=O)=O)c2)n1

InChI

InChI=1S/C21H32N4O2S3/c1-21(2,3)18-15-29-20(22-18)16-13-19(28-14-16)30(26,27)25-11-9-24(10-12-25)17-5-7-23(4)8-6-17/h13-15,17H,5-12H2,1-4H3

InChI Key

LINNXPQDUITWSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27493152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.71

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.707

Distribution Coefficient, logD

2.093

Water Solubility, LogSw

-3.88

Polar Surface Area

49.272

Acid Dissociation Constant (pKa)

27.78

Base Dissociation Constant (pKb)

9.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

M022-1782 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M022-1782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M022-1782?
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What is the minimum amount of M022-1782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M022-1782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M022-1782
  • 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 M022-1782 available by request