M461-0562 Screening compound: 1-ethyl-N-(4-methylcyclohexyl)-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxamide

M461-0562 Screening compound: 1-ethyl-N-(4-methylcyclohexyl)-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxamide
M461-0562 Screening compound: 1-ethyl-N-(4-methylcyclohexyl)-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M461-0562
1-ethyl-N-(4-methylcyclohexyl)-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxamide

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

M461-0562

Molecular Formula

C17H28N4O3S2 (C17 H28 N4 O3 S2)

Compound Name

1-ethyl-N-(4-methylcyclohexyl)-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxamide

IUPAC name

1-ethyl-N-(4-methylcyclohexyl)-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxamide

SMILES

CCn(cc1C(NC2CCC(C)CC2)=O)nc1S(N1CCSCC1)(=O)=O

InChI

InChI=1S/C17H28N4O3S2/c1-3-20-12-15(16(22)18-14-6-4-13(2)5-7-14)17(19-20)26(23,24)21-8-10-25-11-9-21/h12-14H,3-11H2,1-2H3,(H,18,22)

InChI Key

QCELPJYLDHBIAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.766

Distribution Coefficient, logD

2.766

Water Solubility, LogSw

-3.32

Polar Surface Area

70.911

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

76.50

M461-0562 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M461-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M461-0562?
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What is the minimum amount of M461-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M461-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M461-0562
  • 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 M461-0562 available by request