M086-0458 Screening compound: 2-methyl-N-[4-(propan-2-yl)phenyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzene-1-sulfonamide

M086-0458 Screening compound: 2-methyl-N-[4-(propan-2-yl)phenyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzene-1-sulfonamide
M086-0458 Screening compound: 2-methyl-N-[4-(propan-2-yl)phenyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M086-0458
2-methyl-N-[4-(propan-2-yl)phenyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzene-1-sulfonamide

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

M086-0458

Molecular Formula

C20H19F3N2O3S (C20 H19 F3 N2 O3 S)

Compound Name

2-methyl-N-[4-(propan-2-yl)phenyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzene-1-sulfonamide

IUPAC name

2-methyl-N-[4-(propan-2-yl)phenyl]-5-[5-(trifluoromethyl)-12-oxazol-3-yl]benzene-1-sulfonamide

SMILES

CC(C)c(cc1)ccc1NS(c1c(C)ccc(-c2noc(C(F)(F)F)c2)c1)(=O)=O

InChI

InChI=1S/C20H19F3N2O3S/c1-12(2)14-6-8-16(9-7-14)25-29(26,27)18-10-15(5-4-13(18)3)17-11-19(28-24-17)20(21,22)23/h4-12,25H,1-3H3

InChI Key

CIRQBNKCRJCRCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15140571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.177

Distribution Coefficient, logD

6.030

Water Solubility, LogSw

-5.65

Polar Surface Area

62.423

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

-5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with M086-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M086-0458?
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What is the minimum amount of M086-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M086-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M086-0458
  • 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 M086-0458 available by request