M461-1747 Screening compound: 1-ethyl-N-(3-fluorophenyl)-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxamide

M461-1747 Screening compound: 1-ethyl-N-(3-fluorophenyl)-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxamide
M461-1747 Screening compound: 1-ethyl-N-(3-fluorophenyl)-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M461-1747
1-ethyl-N-(3-fluorophenyl)-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

M461-1747

Molecular Formula

C16H19FN4O3S2 (C16 H19 FN4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCn(cc1C(Nc2cc(F)ccc2)=O)nc1S(N1CCSCC1)(=O)=O

InChI

InChI=1S/C16H19FN4O3S2/c1-2-20-11-14(15(22)18-13-5-3-4-12(17)10-13)16(19-20)26(23,24)21-6-8-25-9-7-21/h3-5,10-11H,2,6-9H2,1H3,(H,18,22)

InChI Key

VQAIMQLYYMVOEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

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

1.804

Distribution Coefficient, logD

1.758

Water Solubility, LogSw

-2.71

Polar Surface Area

69.864

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

M461-1747 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with M461-1747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M461-1747?
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What is the minimum amount of M461-1747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M461-1747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M461-1747
  • 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 M461-1747 available by request