6466-0812 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide

6466-0812 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
6466-0812 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0812
N-(5-chloro-2-methoxyphenyl)-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide

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

6466-0812

Molecular Formula

C18H13ClF3N3O3S (C18 H13 ClF3 N3 O3 S)

Compound Name

N-(5-chloro-2-methoxyphenyl)-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide

SMILES

COc(ccc(Cl)c1)c1NC(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)=O

InChI

InChI=1S/C18H13ClF3N3O3S/c1-27-13-5-4-10(19)7-11(13)23-16(26)9-29-17-24-12(14-3-2-6-28-14)8-15(25-17)18(20,21)22/h2-8H,9H2,1H3,(H,23,26)

InChI Key

BVQIUZYUZNTLCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02737278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.468

Distribution Coefficient, logD

4.465

Water Solubility, LogSw

-4.64

Polar Surface Area

55.649

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

6466-0812 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 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 6466-0812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0812?
Check Price and Availability of 6466-0812, 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 6466-0812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0812
  • 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 6466-0812 available by request