M088-0149 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide

M088-0149 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
M088-0149 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M088-0149
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-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

M088-0149

Molecular Formula

C17H13F3N2O5S2 (C17 H13 F3 N2 O5 S2)

Compound Name

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

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-methyl-5-[5-(trifluoromethyl)-12-oxazol-3-yl]thiophene-3-sulfonamide

SMILES

Cc(sc(-c1noc(C(F)(F)F)c1)c1)c1S(Nc(cc1)cc2c1OCCO2)(=O)=O

InChI

InChI=1S/C17H13F3N2O5S2/c1-9-15(8-14(28-9)11-7-16(27-21-11)17(18,19)20)29(23,24)22-10-2-3-12-13(6-10)26-5-4-25-12/h2-3,6-8,22H,4-5H2,1H3

InChI Key

NEJQJTICEGZUTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27496551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.529

Distribution Coefficient, logD

3.391

Water Solubility, LogSw

-3.81

Polar Surface Area

79.265

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

-4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

M088-0149 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M088-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M088-0149?
Check Price and Availability of M088-0149, 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 M088-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M088-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M088-0149
  • 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 M088-0149 available by request