M461-5458 Screening compound: 3-{[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl}-N-(3-methylbutyl)-1-propyl-1H-pyrazole-4-carboxamide

M461-5458 Screening compound: 3-{[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl}-N-(3-methylbutyl)-1-propyl-1H-pyrazole-4-carboxamide
M461-5458 Screening compound: 3-{[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl}-N-(3-methylbutyl)-1-propyl-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M461-5458
3-{[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl}-N-(3-methylbutyl)-1-propyl-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

M461-5458

Molecular Formula

C24H37N5O4S (C24 H37 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCn(cc1C(NCCC(C)C)=O)nc1S(N(CC1)CCN1c(cccc1)c1OCC)(=O)=O

InChI

InChI=1S/C24H37N5O4S/c1-5-13-28-18-20(23(30)25-12-11-19(3)4)24(26-28)34(31,32)29-16-14-27(15-17-29)21-9-7-8-10-22(21)33-6-2/h7-10,18-19H,5-6,11-17H2,1-4H3,(H,25,30)

InChI Key

HFLLJSSGKRQHEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.737

Distribution Coefficient, logD

3.737

Water Solubility, LogSw

-3.82

Polar Surface Area

81.722

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

M461-5458 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with M461-5458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M461-5458?
Check Price and Availability of M461-5458, 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 M461-5458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M461-5458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M461-5458
  • 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 M461-5458 available by request