M087-0081 Screening compound: 1-(2,3-dimethylphenyl)-4-({4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl}sulfonyl)piperazine

M087-0081 Screening compound: 1-(2,3-dimethylphenyl)-4-({4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl}sulfonyl)piperazine
M087-0081 Screening compound: 1-(2,3-dimethylphenyl)-4-({4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl}sulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound M087-0081
1-(2,3-dimethylphenyl)-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

M087-0081

Molecular Formula

C20H20F3N3O3S2 (C20 H20 F3 N3 O3 S2)

Compound Name

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

IUPAC name

1-(23-dimethylphenyl)-4-({4-[5-(trifluoromethyl)-12-oxazol-3-yl]thiophen-2-yl}sulfonyl)piperazine

SMILES

Cc1cccc(N(CC2)CCN2S(c2cc(-c3noc(C(F)(F)F)c3)cs2)(=O)=O)c1C

InChI

InChI=1S/C20H20F3N3O3S2/c1-13-4-3-5-17(14(13)2)25-6-8-26(9-7-25)31(27,28)19-10-15(12-30-19)16-11-18(29-24-16)20(21,22)23/h3-5,10-12H,6-9H2,1-2H3

InChI Key

MJYRSXPGJYEKPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27496490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.258

Distribution Coefficient, logD

5.258

Water Solubility, LogSw

-5.32

Polar Surface Area

57.462

Acid Dissociation Constant (pKa)

28.26

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

M087-0081 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M087-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M087-0081?
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What is the minimum amount of M087-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M087-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M087-0081
  • 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 M087-0081 available by request