6228-0826 Screening compound: 3-phenylpropyl 2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetate

6228-0826 Screening compound: 3-phenylpropyl 2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetate
6228-0826 Screening compound: 3-phenylpropyl 2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-0826
3-phenylpropyl 2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetate

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

6228-0826

Molecular Formula

C20H17F3N2O2S2 (C20 H17 F3 N2 O2 S2)

Compound Name

3-phenylpropyl 2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetate

IUPAC name

3-phenylpropyl 2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetate

SMILES

O=C(CSc1nc(C(F)(F)F)cc(-c2cccs2)n1)OCCCc1ccccc1

InChI

InChI=1S/C20H17F3N2O2S2/c21-20(22,23)17-12-15(16-9-5-11-28-16)24-19(25-17)29-13-18(26)27-10-4-8-14-6-2-1-3-7-14/h1-3,5-7,9,11-12H,4,8,10,13H2

InChI Key

JCXHTCAKQVYGFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.156

Distribution Coefficient, logD

6.156

Water Solubility, LogSw

-5.89

Polar Surface Area

38.460

Acid Dissociation Constant (pKa)

17.45

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 6228-0826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-0826?
Check Price and Availability of 6228-0826, 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 6228-0826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-0826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-0826
  • 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 6228-0826 available by request