C436-3009 Screening compound: 2-METHYL-1-(3-METHYLPHENYL)-4-[(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)SULFONYL]PIPERAZINE

C436-3009 Screening compound: 2-METHYL-1-(3-METHYLPHENYL)-4-[(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)SULFONYL]PIPERAZINE
C436-3009 Screening compound: 2-METHYL-1-(3-METHYLPHENYL)-4-[(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)SULFONYL]PIPERAZINE alternative view

Chemical Structure Depiction of ChemDiv screening compound C436-3009
2-METHYL-1-(3-METHYLPHENYL)-4-[(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)SULFONYL]PIPERAZINE

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

C436-3009

Molecular Formula

C18H26N4O2S (C18 H26 N4 O2 S)

Compound Name

2-METHYL-1-(3-METHYLPHENYL)-4-[(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)SULFONYL]PIPERAZINE

IUPAC name

2-methyl-1-(3-methylphenyl)-4-[(135-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine

SMILES

CC(CN(CC1)S(c2c(C)n(C)nc2C)(=O)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C18H26N4O2S/c1-13-7-6-8-17(11-13)22-10-9-21(12-14(22)2)25(23,24)18-15(3)19-20(5)16(18)4/h6-8,11,14H,9-10,12H2,1-5H3/t14-/m0/s1

InChI Key

JCJRKOUKOHKOQD-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14758016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.969

Distribution Coefficient, logD

1.969

Water Solubility, LogSw

-2.48

Polar Surface Area

49.267

Acid Dissociation Constant (pKa)

25.90

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C436-3009 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C436-3009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C436-3009?
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What is the minimum amount of C436-3009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C436-3009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C436-3009
  • 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 C436-3009 available by request