6466-0549 Screening compound: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propan-1-one

6466-0549 Screening compound: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propan-1-one
6466-0549 Screening compound: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0549
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propan-1-one

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

6466-0549

Molecular Formula

C25H25F3N4O2S (C25 H25 F3 N4 O2 S)

Compound Name

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propan-1-one

IUPAC name

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propan-1-one

SMILES

CC(C(N(CC1)CCN1c(cccc1)c1OC)=O)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1

InChI

InChI=1S/C25H25F3N4O2S/c1-17(23(33)32-14-12-31(13-15-32)20-10-6-7-11-21(20)34-2)35-24-29-19(18-8-4-3-5-9-18)16-22(30-24)25(26,27)28/h3-11,16-17H,12-15H2,1-2H3/t17-/m0/s1

InChI Key

CJYCXOVKCZVPMO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02737003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.728

Distribution Coefficient, logD

5.728

Water Solubility, LogSw

-5.44

Polar Surface Area

44.498

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

6466-0549 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Annotated Library (688 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6466-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0549?
Check Price and Availability of 6466-0549, 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 6466-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0549
  • 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 6466-0549 available by request