M090-0085 Screening compound: 2-({2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl}sulfonyl)-1,2,3,4-tetrahydroisoquinoline

M090-0085 Screening compound: 2-({2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl}sulfonyl)-1,2,3,4-tetrahydroisoquinoline
M090-0085 Screening compound: 2-({2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl}sulfonyl)-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound M090-0085
2-({2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl}sulfonyl)-1,2,3,4-tetrahydroisoquinoline

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

M090-0085

Molecular Formula

C19H17F3N2O3S2 (C19 H17 F3 N2 O3 S2)

Compound Name

2-({2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl}sulfonyl)-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-({25-dimethyl-4-[5-(trifluoromethyl)-12-oxazol-3-yl]thiophen-3-yl}sulfonyl)-1234-tetrahydroisoquinoline

SMILES

Cc1c(-c2noc(C(F)(F)F)c2)c(S(N(CC2)Cc3c2cccc3)(=O)=O)c(C)s1

InChI

InChI=1S/C19H17F3N2O3S2/c1-11-17(15-9-16(27-23-15)19(20,21)22)18(12(2)28-11)29(25,26)24-8-7-13-5-3-4-6-14(13)10-24/h3-6,9H,7-8,10H2,1-2H3

InChI Key

AYVZIEXTEXNGSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15140801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.925

Distribution Coefficient, logD

4.925

Water Solubility, LogSw

-4.74

Polar Surface Area

54.165

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

M090-0085 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with M090-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M090-0085?
Check Price and Availability of M090-0085, 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 M090-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M090-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M090-0085
  • 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 M090-0085 available by request