M086-1342 Screening compound: 1-(2,5-dimethylphenyl)-4-{2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonyl}piperazine
Chemical Structure Depiction of ChemDiv screening compound M086-1342
1-(2,5-dimethylphenyl)-4-{2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonyl}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
M086-1342
Molecular Formula
C24H26F3N3O3S (C24 H26 F3 N3 O3 S)
Compound Name
1-(2,5-dimethylphenyl)-4-{2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonyl}piperazine
IUPAC name
1-(25-dimethylphenyl)-4-{2-ethyl-5-[5-(trifluoromethyl)-12-oxazol-3-yl]benzenesulfonyl}piperazine
SMILES
CCc(ccc(-c1noc(C(F)(F)F)c1)c1)c1S(N(CC1)CCN1c1c(C)ccc(C)c1)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
493.55
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
6.437
Distribution Coefficient, logD
6.437
Water Solubility, LogSw
-5.76
Polar Surface Area
56.444
Acid Dissociation Constant (pKa)
24.33
Base Dissociation Constant (pKb)
4.43
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
37.50
M086-1342 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Anticancer Library (62698 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
- Cancer
References: we are preparing a list of scientific research reports with M086-1342 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)