6466-1109 Screening compound: 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide

6466-1109 Screening compound: 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
6466-1109 Screening compound: 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-1109
2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide

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

6466-1109

Molecular Formula

C22H24F3N5O3S (C22 H24 F3 N5 O3 S)

Compound Name

2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide

IUPAC name

2-{[4-(34-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(15-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide

SMILES

Cc1c(CN(C)C(CSc2nc(-c(cc3)cc(OC)c3OC)cc(C(F)(F)F)n2)=O)cnn1C

InChI

InChI=1S/C22H24F3N5O3S/c1-13-15(10-26-30(13)3)11-29(2)20(31)12-34-21-27-16(9-19(28-21)22(23,24)25)14-6-7-17(32-4)18(8-14)33-5/h6-10H,11-12H2,1-5H3

InChI Key

XAIMUISIPNTQMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03045281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.320

Distribution Coefficient, logD

3.320

Water Solubility, LogSw

-3.44

Polar Surface Area

62.630

Acid Dissociation Constant (pKa)

16.68

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

6466-1109 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 6466-1109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-1109?
Check Price and Availability of 6466-1109, 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 6466-1109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-1109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-1109
  • 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 6466-1109 available by request