M086-0387 Screening compound: 2-methyl-1-{2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonyl}piperidine

M086-0387 Screening compound: 2-methyl-1-{2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonyl}piperidine
M086-0387 Screening compound: 2-methyl-1-{2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound M086-0387
2-methyl-1-{2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonyl}piperidine

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

M086-0387

Molecular Formula

C17H19F3N2O3S (C17 H19 F3 N2 O3 S)

Compound Name

2-methyl-1-{2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonyl}piperidine

IUPAC name

2-methyl-1-{2-methyl-5-[5-(trifluoromethyl)-12-oxazol-3-yl]benzenesulfonyl}piperidine

SMILES

CC(CCCC1)N1S(c1c(C)ccc(-c2noc(C(F)(F)F)c2)c1)(=O)=O

InChI

InChI=1S/C17H19F3N2O3S/c1-11-6-7-13(14-10-16(25-21-14)17(18,19)20)9-15(11)26(23,24)22-8-4-3-5-12(22)2/h6-7,9-10,12H,3-5,8H2,1-2H3/t12-/m0/s1

InChI Key

NSYXAOALGZRHGE-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD15140539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.498

Distribution Coefficient, logD

4.498

Water Solubility, LogSw

-4.23

Polar Surface Area

53.546

Acid Dissociation Constant (pKa)

26.41

Base Dissociation Constant (pKb)

-4.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

M086-0387 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M086-0387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M086-0387?
Check Price and Availability of M086-0387, 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 M086-0387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M086-0387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M086-0387
  • 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 M086-0387 available by request