M461-6098 Screening compound: 3-{[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl}-N-(2-methylpropyl)-1-propyl-1H-pyrazole-4-carboxamide

M461-6098 Screening compound: 3-{[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl}-N-(2-methylpropyl)-1-propyl-1H-pyrazole-4-carboxamide
M461-6098 Screening compound: 3-{[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl}-N-(2-methylpropyl)-1-propyl-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M461-6098
3-{[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl}-N-(2-methylpropyl)-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

M461-6098

Molecular Formula

C21H30ClN5O3S (C21 H30 ClN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCn(cc1C(NCC(C)C)=O)nc1S(N(CC1)CCN1c(cccc1)c1Cl)(=O)=O

InChI

InChI=1S/C21H30ClN5O3S/c1-4-9-26-15-17(20(28)23-14-16(2)3)21(24-26)31(29,30)27-12-10-25(11-13-27)19-8-6-5-7-18(19)22/h5-8,15-16H,4,9-14H2,1-3H3,(H,23,28)

InChI Key

PKVFNTNJNYAHBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.506

Distribution Coefficient, logD

3.506

Water Solubility, LogSw

-3.81

Polar Surface Area

74.671

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

References: we are preparing a list of scientific research reports with M461-6098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M461-6098?
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What is the minimum amount of M461-6098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M461-6098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M461-6098
  • 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 M461-6098 available by request