M333-0285 Screening compound: N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-methyl-5-(3-methyl-1H-pyrazol-5-yl)thiophene-3-sulfonamide

M333-0285 Screening compound: N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-methyl-5-(3-methyl-1H-pyrazol-5-yl)thiophene-3-sulfonamide
M333-0285 Screening compound: N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-methyl-5-(3-methyl-1H-pyrazol-5-yl)thiophene-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M333-0285
N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-methyl-5-(3-methyl-1H-pyrazol-5-yl)thiophene-3-sulfonamide

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

M333-0285

Molecular Formula

C22H27ClN4O2S2 (C22 H27 ClN4 O2 S2)

Compound Name

N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-methyl-5-(3-methyl-1H-pyrazol-5-yl)thiophene-3-sulfonamide

IUPAC name

N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-methyl-5-(3-methyl-1H-pyrazol-5-yl)thiophene-3-sulfonamide

SMILES

Cc1n[nH]c(-c2cc(S(NCC3CCN(Cc4cccc(Cl)c4)CC3)(=O)=O)c(C)s2)c1

InChI

InChI=1S/C22H27ClN4O2S2/c1-15-10-20(26-25-15)21-12-22(16(2)30-21)31(28,29)24-13-17-6-8-27(9-7-17)14-18-4-3-5-19(23)11-18/h3-5,10-12,17,24H,6-9,13-14H2,1-2H3,(H,25,26)

InChI Key

RTNCLPZZUQSFFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.07

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.974

Distribution Coefficient, logD

3.575

Water Solubility, LogSw

-4.87

Polar Surface Area

69.044

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

8.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

M333-0285 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M333-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M333-0285?
Check Price and Availability of M333-0285, 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 M333-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M333-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M333-0285
  • 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 M333-0285 available by request