M090-0068 Screening compound: 2,5-dimethyl-N-[(4-methylphenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide

M090-0068 Screening compound: 2,5-dimethyl-N-[(4-methylphenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
M090-0068 Screening compound: 2,5-dimethyl-N-[(4-methylphenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M090-0068
2,5-dimethyl-N-[(4-methylphenyl)methyl]-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

M090-0068

Molecular Formula

C18H17F3N2O3S2 (C18 H17 F3 N2 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(-c2noc(C(F)(F)F)c2)c(S(NCc2ccc(C)cc2)(=O)=O)c(C)s1

InChI

InChI=1S/C18H17F3N2O3S2/c1-10-4-6-13(7-5-10)9-22-28(24,25)17-12(3)27-11(2)16(17)14-8-15(26-23-14)18(19,20)21/h4-8,22H,9H2,1-3H3

InChI Key

GWRPWPFECLNJBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27496607

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

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.861

Distribution Coefficient, logD

4.859

Water Solubility, LogSw

-4.76

Polar Surface Area

64.550

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

M090-0068 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 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 M090-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M090-0068?
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What is the minimum amount of M090-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M090-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M090-0068
  • 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 M090-0068 available by request