M086-1335 Screening compound: 2-ethyl-N-(4-sulfamoylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzene-1-sulfonamide

M086-1335 Screening compound: 2-ethyl-N-(4-sulfamoylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzene-1-sulfonamide
M086-1335 Screening compound: 2-ethyl-N-(4-sulfamoylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M086-1335
2-ethyl-N-(4-sulfamoylphenyl)-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

M086-1335

Molecular Formula

C18H16F3N3O5S2 (C18 H16 F3 N3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCc(ccc(-c1noc(C(F)(F)F)c1)c1)c1S(Nc(cc1)ccc1S(N)(=O)=O)(=O)=O

InChI

InChI=1S/C18H16F3N3O5S2/c1-2-11-3-4-12(15-10-17(29-23-15)18(19,20)21)9-16(11)31(27,28)24-13-5-7-14(8-6-13)30(22,25)26/h3-10,24H,2H2,1H3,(H2,22,25,26)

InChI Key

SENXLAJESJCIDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15140645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.602

Distribution Coefficient, logD

1.672

Water Solubility, LogSw

-4.00

Polar Surface Area

113.026

Acid Dissociation Constant (pKa)

5.48

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

M086-1335 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Carbonic Anhydrase II Library (4939 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M086-1335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M086-1335?
Check Price and Availability of M086-1335, 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 M086-1335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M086-1335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M086-1335
  • 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 M086-1335 available by request