M087-0123 Screening compound: 4-benzyl-1-({4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl}sulfonyl)piperidine

M087-0123 Screening compound: 4-benzyl-1-({4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl}sulfonyl)piperidine
M087-0123 Screening compound: 4-benzyl-1-({4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl}sulfonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound M087-0123
4-benzyl-1-({4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl}sulfonyl)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

M087-0123

Molecular Formula

C20H19F3N2O3S2 (C20 H19 F3 N2 O3 S2)

Compound Name

4-benzyl-1-({4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl}sulfonyl)piperidine

IUPAC name

4-benzyl-1-({4-[5-(trifluoromethyl)-12-oxazol-3-yl]thiophen-2-yl}sulfonyl)piperidine

SMILES

O=S(c1cc(-c2noc(C(F)(F)F)c2)cs1)(N1CCC(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C20H19F3N2O3S2/c21-20(22,23)18-12-17(24-28-18)16-11-19(29-13-16)30(26,27)25-8-6-15(7-9-25)10-14-4-2-1-3-5-14/h1-5,11-13,15H,6-10H2

InChI Key

VPBAASRRDOUWKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27496494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.528

Distribution Coefficient, logD

5.528

Water Solubility, LogSw

-6.01

Polar Surface Area

54.231

Acid Dissociation Constant (pKa)

25.46

Base Dissociation Constant (pKb)

-5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

M087-0123 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M087-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M087-0123?
Check Price and Availability of M087-0123, 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 M087-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M087-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M087-0123
  • 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 M087-0123 available by request