M461-1716 Screening compound: 1-ethyl-N-(4-methylphenyl)-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxamide

M461-1716 Screening compound: 1-ethyl-N-(4-methylphenyl)-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxamide
M461-1716 Screening compound: 1-ethyl-N-(4-methylphenyl)-3-(thiomorpholine-4-sulfonyl)-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M461-1716
1-ethyl-N-(4-methylphenyl)-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

M461-1716

Molecular Formula

C17H22N4O3S2 (C17 H22 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCn(cc1C(Nc2ccc(C)cc2)=O)nc1S(N1CCSCC1)(=O)=O

InChI

InChI=1S/C17H22N4O3S2/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/h4-7,12H,3,8-11H2,1-2H3,(H,18,22)

InChI Key

GVPNNKGWUAQVFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.52

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

2.074

Distribution Coefficient, logD

2.073

Water Solubility, LogSw

-2.92

Polar Surface Area

69.864

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

M461-1716 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M461-1716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M461-1716?
Check Price and Availability of M461-1716, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M461-1716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M461-1716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M461-1716
  • 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 M461-1716 available by request