M332-0116 Screening compound: 1-[4-(4-{[2,5-dimethyl-4-(3-methyl-1H-pyrazol-5-yl)thiophen-3-yl]sulfonyl}piperazin-1-yl)phenyl]ethan-1-one

M332-0116 Screening compound: 1-[4-(4-{[2,5-dimethyl-4-(3-methyl-1H-pyrazol-5-yl)thiophen-3-yl]sulfonyl}piperazin-1-yl)phenyl]ethan-1-one
M332-0116 Screening compound: 1-[4-(4-{[2,5-dimethyl-4-(3-methyl-1H-pyrazol-5-yl)thiophen-3-yl]sulfonyl}piperazin-1-yl)phenyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M332-0116
1-[4-(4-{[2,5-dimethyl-4-(3-methyl-1H-pyrazol-5-yl)thiophen-3-yl]sulfonyl}piperazin-1-yl)phenyl]ethan-1-one

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

M332-0116

Molecular Formula

C22H26N4O3S2 (C22 H26 N4 O3 S2)

Compound Name

1-[4-(4-{[2,5-dimethyl-4-(3-methyl-1H-pyrazol-5-yl)thiophen-3-yl]sulfonyl}piperazin-1-yl)phenyl]ethan-1-one

IUPAC name

1-[4-(4-{[25-dimethyl-4-(3-methyl-1H-pyrazol-5-yl)thiophen-3-yl]sulfonyl}piperazin-1-yl)phenyl]ethan-1-one

SMILES

CC(c(cc1)ccc1N(CC1)CCN1S(c1c(C)sc(C)c1-c1cc(C)n[nH]1)(=O)=O)=O

InChI

InChI=1S/C22H26N4O3S2/c1-14-13-20(24-23-14)21-16(3)30-17(4)22(21)31(28,29)26-11-9-25(10-12-26)19-7-5-18(6-8-19)15(2)27/h5-8,13H,9-12H2,1-4H3,(H,23,24)

InChI Key

WPPHDUNBVYMMCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.317

Distribution Coefficient, logD

3.317

Water Solubility, LogSw

-3.64

Polar Surface Area

72.351

Acid Dissociation Constant (pKa)

9.06

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

M332-0116 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M332-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M332-0116?
Check Price and Availability of M332-0116, 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 M332-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M332-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M332-0116
  • 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 M332-0116 available by request