6466-1144 Screening compound: 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-benzyl-N-methylpropanamide

6466-1144 Screening compound: 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-benzyl-N-methylpropanamide
6466-1144 Screening compound: 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-benzyl-N-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-1144
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-benzyl-N-methylpropanamide

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

6466-1144

Molecular Formula

C23H20F3N3O3S (C23 H20 F3 N3 O3 S)

Compound Name

3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-benzyl-N-methylpropanamide

IUPAC name

3-{[4-(2H-13-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-benzyl-N-methylpropanamide

SMILES

CN(Cc1ccccc1)C(CCSc1nc(-c(cc2)cc3c2OCO3)cc(C(F)(F)F)n1)=O

InChI

InChI=1S/C23H20F3N3O3S/c1-29(13-15-5-3-2-4-6-15)21(30)9-10-33-22-27-17(12-20(28-22)23(24,25)26)16-7-8-18-19(11-16)32-14-31-18/h2-8,11-12H,9-10,13-14H2,1H3

InChI Key

FINNIKWRASDDQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03043164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.443

Distribution Coefficient, logD

5.443

Water Solubility, LogSw

-5.41

Polar Surface Area

49.999

Acid Dissociation Constant (pKa)

22.78

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

6466-1144 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human Ion Channels Annotated Library (353 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6466-1144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-1144?
Check Price and Availability of 6466-1144, 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 6466-1144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-1144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-1144
  • 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 6466-1144 available by request