M086-1345 Screening compound: 1-{2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonyl}-1,2,3,4-tetrahydroquinoline

M086-1345 Screening compound: 1-{2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonyl}-1,2,3,4-tetrahydroquinoline
M086-1345 Screening compound: 1-{2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonyl}-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound M086-1345
1-{2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonyl}-1,2,3,4-tetrahydroquinoline

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

M086-1345

Molecular Formula

C21H19F3N2O3S (C21 H19 F3 N2 O3 S)

Compound Name

1-{2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonyl}-1,2,3,4-tetrahydroquinoline

IUPAC name

1-{2-ethyl-5-[5-(trifluoromethyl)-12-oxazol-3-yl]benzenesulfonyl}-1234-tetrahydroquinoline

SMILES

CCc(ccc(-c1noc(C(F)(F)F)c1)c1)c1S(N(CCC1)c2c1cccc2)(=O)=O

InChI

InChI=1S/C21H19F3N2O3S/c1-2-14-9-10-16(17-13-20(29-25-17)21(22,23)24)12-19(14)30(27,28)26-11-5-7-15-6-3-4-8-18(15)26/h3-4,6,8-10,12-13H,2,5,7,11H2,1H3

InChI Key

LXLGAPYFGVHEFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15140651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.389

Distribution Coefficient, logD

5.389

Water Solubility, LogSw

-5.40

Polar Surface Area

52.926

Acid Dissociation Constant (pKa)

24.33

Base Dissociation Constant (pKb)

-5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

M086-1345 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with M086-1345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M086-1345?
Check Price and Availability of M086-1345, 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 M086-1345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M086-1345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M086-1345
  • 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 M086-1345 available by request