M089-0115 Screening compound: 1-({2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl}sulfonyl)-4-phenyl-1,2,3,6-tetrahydropyridine

M089-0115 Screening compound: 1-({2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl}sulfonyl)-4-phenyl-1,2,3,6-tetrahydropyridine
M089-0115 Screening compound: 1-({2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl}sulfonyl)-4-phenyl-1,2,3,6-tetrahydropyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound M089-0115
1-({2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-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

M089-0115

Molecular Formula

C20H18F3N3O2S2 (C20 H18 F3 N3 O2 S2)

Compound Name

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

IUPAC name

1-({2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl}sulfonyl)-4-phenyl-1236-tetrahydropyridine

SMILES

Cc(sc(-c1n[nH]c(C(F)(F)F)c1)c1)c1S(N(CC1)CC=C1c1ccccc1)(=O)=O

InChI

InChI=1S/C20H18F3N3O2S2/c1-13-18(12-17(29-13)16-11-19(25-24-16)20(21,22)23)30(27,28)26-9-7-15(8-10-26)14-5-3-2-4-6-14/h2-7,11-12H,8-10H2,1H3,(H,24,25)

InChI Key

AAYYFZIKKOGURD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15140774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.445

Distribution Coefficient, logD

5.438

Water Solubility, LogSw

-5.47

Polar Surface Area

55.186

Acid Dissociation Constant (pKa)

5.70

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

M089-0115 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

DGK Inhibitors Library (10558 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M089-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M089-0115?
Check Price and Availability of M089-0115, 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 M089-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M089-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M089-0115
  • 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 M089-0115 available by request