M086-0401 Screening compound: 1-(2,5-dimethylphenyl)-4-{2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonyl}piperazine

M086-0401 Screening compound: 1-(2,5-dimethylphenyl)-4-{2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonyl}piperazine
M086-0401 Screening compound: 1-(2,5-dimethylphenyl)-4-{2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound M086-0401
1-(2,5-dimethylphenyl)-4-{2-methyl-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

M086-0401

Molecular Formula

C23H24F3N3O3S (C23 H24 F3 N3 O3 S)

Compound Name

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

IUPAC name

1-(25-dimethylphenyl)-4-{2-methyl-5-[5-(trifluoromethyl)-12-oxazol-3-yl]benzenesulfonyl}piperazine

SMILES

Cc1cc(N(CC2)CCN2S(c2c(C)ccc(-c3noc(C(F)(F)F)c3)c2)(=O)=O)c(C)cc1

InChI

InChI=1S/C23H24F3N3O3S/c1-15-4-5-16(2)20(12-15)28-8-10-29(11-9-28)33(30,31)21-13-18(7-6-17(21)3)19-14-22(32-27-19)23(24,25)26/h4-7,12-14H,8-11H2,1-3H3

InChI Key

DFLGOBGVKHYNCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15140547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.52

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

6.034

Distribution Coefficient, logD

6.034

Water Solubility, LogSw

-5.57

Polar Surface Area

56.444

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

M086-0401 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M086-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M086-0401?
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What is the minimum amount of M086-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M086-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M086-0401
  • 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 M086-0401 available by request