K788-8845 Screening compound: 2-{[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

K788-8845 Screening compound: 2-{[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
K788-8845 Screening compound: 2-{[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-8845
2-{[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-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

K788-8845

Molecular Formula

C25H26F3N3O4S (C25 H26 F3 N3 O4 S)

Compound Name

2-{[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

IUPAC name

2-{[2-(3-methoxyphenyl)-5-methyl-13-oxazol-4-yl]methanesulfinyl}-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

SMILES

Cc1c(CS(CC(N(CC2)CCN2c2cc(C(F)(F)F)ccc2)=O)=O)nc(-c2cc(OC)ccc2)o1

InChI

InChI=1S/C25H28F3N3O4S/c1-17-22(29-24(35-17)18-5-3-8-21(13-18)34-2)15-36(33)16-23(32)31-11-9-30(10-12-31)20-7-4-6-19(14-20)25(26,27)28/h3-8,13-14H,9-12,15-16,36H2,1-2H3

InChI Key

MFGVKHQOSFIZKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.675

Distribution Coefficient, logD

3.675

Water Solubility, LogSw

-4.07

Polar Surface Area

60.330

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

K788-8845 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with K788-8845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8845?
Check Price and Availability of K788-8845, 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 K788-8845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8845
  • 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 K788-8845 available by request