8009-9494 Screening compound: 2,6-dichlorobenzyl [4-methyl-6-(trifluoromethyl)-2-pyrimidinyl] sulfide

8009-9494 Screening compound: 2,6-dichlorobenzyl [4-methyl-6-(trifluoromethyl)-2-pyrimidinyl] sulfide
8009-9494 Screening compound: 2,6-dichlorobenzyl [4-methyl-6-(trifluoromethyl)-2-pyrimidinyl] sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9494
2,6-dichlorobenzyl [4-methyl-6-(trifluoromethyl)-2-pyrimidinyl] sulfide

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

8009-9494

Molecular Formula

C13H9Cl2F3N2S (C13 H9 Cl2 F3 N2 S)

Compound Name

2,6-dichlorobenzyl [4-methyl-6-(trifluoromethyl)-2-pyrimidinyl] sulfide

IUPAC name

n/a

SMILES

Cc1nc(SCc(c(Cl)ccc2)c2Cl)nc(C(F)(F)F)c1

InChI

InChI=1S/C13H9Cl2F3N2S/c1-7-5-11(13(16,17)18)20-12(19-7)21-6-8-9(14)3-2-4-10(8)15/h2-5H,6H2,1H3

InChI Key

SMYVPWGRMKHTJX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.19

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.286

Distribution Coefficient, logD

5.286

Water Solubility, LogSw

-6.02

Polar Surface Area

17.067

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 8009-9494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9494?
Check Price and Availability of 8009-9494, 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 8009-9494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9494
  • 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 8009-9494 available by request