M086-1399 Screening compound: 2-ethyl-N-[4-(propan-2-yl)phenyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzene-1-sulfonamide

M086-1399 Screening compound: 2-ethyl-N-[4-(propan-2-yl)phenyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzene-1-sulfonamide
M086-1399 Screening compound: 2-ethyl-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 M086-1399
2-ethyl-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

M086-1399

Molecular Formula

C21H21F3N2O3S (C21 H21 F3 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(ccc(-c1noc(C(F)(F)F)c1)c1)c1S(Nc1ccc(C(C)C)cc1)(=O)=O

InChI

InChI=1S/C21H21F3N2O3S/c1-4-14-5-6-16(18-12-20(29-25-18)21(22,23)24)11-19(14)30(27,28)26-17-9-7-15(8-10-17)13(2)3/h5-13,26H,4H2,1-3H3

InChI Key

FNELRCHMHXQZAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15140671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.580

Distribution Coefficient, logD

6.433

Water Solubility, LogSw

-5.85

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

28.60

References: we are preparing a list of scientific research reports with M086-1399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M086-1399?
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What is the minimum amount of M086-1399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M086-1399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M086-1399
  • 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 M086-1399 available by request