M333-0433 Screening compound: 1-{[5-(3,4-dimethyl-1H-pyrazol-5-yl)-2-methylthiophen-3-yl]sulfonyl}-4-phenyl-1,2,3,6-tetrahydropyridine

M333-0433 Screening compound: 1-{[5-(3,4-dimethyl-1H-pyrazol-5-yl)-2-methylthiophen-3-yl]sulfonyl}-4-phenyl-1,2,3,6-tetrahydropyridine
M333-0433 Screening compound: 1-{[5-(3,4-dimethyl-1H-pyrazol-5-yl)-2-methylthiophen-3-yl]sulfonyl}-4-phenyl-1,2,3,6-tetrahydropyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound M333-0433
1-{[5-(3,4-dimethyl-1H-pyrazol-5-yl)-2-methylthiophen-3-yl]sulfonyl}-4-phenyl-1,2,3,6-tetrahydropyridine

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

M333-0433

Molecular Formula

C21H23N3O2S2 (C21 H23 N3 O2 S2)

Compound Name

1-{[5-(3,4-dimethyl-1H-pyrazol-5-yl)-2-methylthiophen-3-yl]sulfonyl}-4-phenyl-1,2,3,6-tetrahydropyridine

IUPAC name

1-{[5-(34-dimethyl-1H-pyrazol-5-yl)-2-methylthiophen-3-yl]sulfonyl}-4-phenyl-1236-tetrahydropyridine

SMILES

Cc1c(-c2cc(S(N(CC3)CC=C3c3ccccc3)(=O)=O)c(C)s2)[nH]nc1C

InChI

InChI=1S/C21H23N3O2S2/c1-14-15(2)22-23-21(14)19-13-20(16(3)27-19)28(25,26)24-11-9-18(10-12-24)17-7-5-4-6-8-17/h4-9,13H,10-12H2,1-3H3,(H,22,23)

InChI Key

YUEKIUDIQAXHQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.819

Distribution Coefficient, logD

4.797

Water Solubility, LogSw

-4.51

Polar Surface Area

56.533

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

M333-0433 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with M333-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M333-0433?
Check Price and Availability of M333-0433, 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 M333-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M333-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M333-0433
  • 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 M333-0433 available by request