M090-0109 Screening compound: 2,5-dimethyl-N-(2-phenylethyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide

M090-0109 Screening compound: 2,5-dimethyl-N-(2-phenylethyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
M090-0109 Screening compound: 2,5-dimethyl-N-(2-phenylethyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M090-0109
2,5-dimethyl-N-(2-phenylethyl)-4-[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

M090-0109

Molecular Formula

C18H17F3N2O3S2 (C18 H17 F3 N2 O3 S2)

Compound Name

2,5-dimethyl-N-(2-phenylethyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide

IUPAC name

25-dimethyl-N-(2-phenylethyl)-4-[5-(trifluoromethyl)-12-oxazol-3-yl]thiophene-3-sulfonamide

SMILES

Cc1c(-c2noc(C(F)(F)F)c2)c(S(NCCc2ccccc2)(=O)=O)c(C)s1

InChI

InChI=1S/C18H17F3N2O3S2/c1-11-16(14-10-15(26-23-14)18(19,20)21)17(12(2)27-11)28(24,25)22-9-8-13-6-4-3-5-7-13/h3-7,10,22H,8-9H2,1-2H3

InChI Key

IZMOUGATSATLHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27496624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.604

Distribution Coefficient, logD

4.604

Water Solubility, LogSw

-4.52

Polar Surface Area

64.392

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

M090-0109 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M090-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M090-0109?
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What is the minimum amount of M090-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M090-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M090-0109
  • 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 M090-0109 available by request