8017-2103 Screening compound: 5-(2-methoxybenzyl)-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2-thione

8017-2103 Screening compound: 5-(2-methoxybenzyl)-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2-thione
8017-2103 Screening compound: 5-(2-methoxybenzyl)-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2103
5-(2-methoxybenzyl)-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2-thione

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

8017-2103

Molecular Formula

C18H18F3N3OS (C18 H18 F3 N3 OS)

Compound Name

5-(2-methoxybenzyl)-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2-thione

IUPAC name

5-[(2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-135-triazinane-2-thione

SMILES

COc1c(CN(CN2)CN(c3cc(C(F)(F)F)ccc3)C2=S)cccc1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.431

Distribution Coefficient, logD

4.027

Water Solubility, LogSw

-4.36

Polar Surface Area

25.563

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

7.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

References: we are preparing a list of scientific research reports with 8017-2103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2103?
Check Price and Availability of 8017-2103, 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 8017-2103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2103
  • 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 8017-2103 available by request