M087-0079 Screening compound: 1-cyclohexyl-4-({4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl}sulfonyl)piperazine

M087-0079 Screening compound: 1-cyclohexyl-4-({4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl}sulfonyl)piperazine
M087-0079 Screening compound: 1-cyclohexyl-4-({4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl}sulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound M087-0079
1-cyclohexyl-4-({4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl}sulfonyl)piperazine

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

M087-0079

Molecular Formula

C18H22F3N3O3S2 (C18 H22 F3 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=S(c1cc(-c2noc(C(F)(F)F)c2)cs1)(N(CC1)CCN1C1CCCCC1)=O

InChI

InChI=1S/C18H22F3N3O3S2/c19-18(20,21)16-11-15(22-27-16)13-10-17(28-12-13)29(25,26)24-8-6-23(7-9-24)14-4-2-1-3-5-14/h10-12,14H,1-9H2

InChI Key

BBOBZWLTAABGEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15140697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.156

Distribution Coefficient, logD

4.045

Water Solubility, LogSw

-4.08

Polar Surface Area

57.596

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

6.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

M087-0079 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Others
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M087-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M087-0079?
Check Price and Availability of M087-0079, 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 M087-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M087-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M087-0079
  • 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 M087-0079 available by request