M086-1408 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzene-1-sulfonamide

M086-1408 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzene-1-sulfonamide
M086-1408 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M086-1408
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-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

M086-1408

Molecular Formula

C20H17F3N2O5S (C20 H17 F3 N2 O5 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzene-1-sulfonamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-ethyl-5-[5-(trifluoromethyl)-12-oxazol-3-yl]benzene-1-sulfonamide

SMILES

CCc(ccc(-c1noc(C(F)(F)F)c1)c1)c1S(Nc(cc1)cc2c1OCCO2)(=O)=O

InChI

InChI=1S/C20H17F3N2O5S/c1-2-12-3-4-13(15-11-19(30-24-15)20(21,22)23)9-18(12)31(26,27)25-14-5-6-16-17(10-14)29-8-7-28-16/h3-6,9-11,25H,2,7-8H2,1H3

InChI Key

FLNBVVZULRGJIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15140675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.181

Distribution Coefficient, logD

3.329

Water Solubility, LogSw

-4.26

Polar Surface Area

78.246

Acid Dissociation Constant (pKa)

6.61

Base Dissociation Constant (pKb)

-5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

M086-1408 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with M086-1408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M086-1408?
Check Price and Availability of M086-1408, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M086-1408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M086-1408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M086-1408
  • 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 M086-1408 available by request