M461-5402 Screening compound: N-(cyclopropylmethyl)-3-{[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl}-1-methyl-1H-pyrazole-4-carboxamide

M461-5402 Screening compound: N-(cyclopropylmethyl)-3-{[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl}-1-methyl-1H-pyrazole-4-carboxamide
M461-5402 Screening compound: N-(cyclopropylmethyl)-3-{[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl}-1-methyl-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M461-5402
N-(cyclopropylmethyl)-3-{[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl}-1-methyl-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

M461-5402

Molecular Formula

C21H29N5O4S (C21 H29 N5 O4 S)

Compound Name

N-(cyclopropylmethyl)-3-{[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl}-1-methyl-1H-pyrazole-4-carboxamide

IUPAC name

N-(cyclopropylmethyl)-3-{[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl}-1-methyl-1H-pyrazole-4-carboxamide

SMILES

CCOc(cccc1)c1N(CC1)CCN1S(c1nn(C)cc1C(NCC1CC1)=O)(=O)=O

InChI

InChI=1S/C21H29N5O4S/c1-3-30-19-7-5-4-6-18(19)25-10-12-26(13-11-25)31(28,29)21-17(15-24(2)23-21)20(27)22-14-16-8-9-16/h4-7,15-16H,3,8-14H2,1-2H3,(H,22,27)

InChI Key

LUGMLAVNXHLQBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.120

Distribution Coefficient, logD

2.120

Water Solubility, LogSw

-2.83

Polar Surface Area

82.186

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

M461-5402 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 M461-5402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M461-5402?
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What is the minimum amount of M461-5402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M461-5402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M461-5402
  • 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 M461-5402 available by request