K788-9337 Screening compound: 2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one

K788-9337 Screening compound: 2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one
K788-9337 Screening compound: 2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9337
2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[4-(4-fluorophenyl)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

K788-9337

Molecular Formula

C25H28FN3O3S (C25 H28 FN3 O3 S)

Compound Name

2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one

IUPAC name

2-({[2-(4-ethoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}sulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one

SMILES

CCOc(cc1)ccc1-c1nc(CSCC(N(CC2)CCN2c(cc2)ccc2F)=O)c(C)o1

InChI

InChI=1S/C25H28FN3O3S/c1-3-31-22-10-4-19(5-11-22)25-27-23(18(2)32-25)16-33-17-24(30)29-14-12-28(13-15-29)21-8-6-20(26)7-9-21/h4-11H,3,12-17H2,1-2H3

InChI Key

IVHPAURZUJQVQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.805

Distribution Coefficient, logD

4.805

Water Solubility, LogSw

-4.49

Polar Surface Area

44.865

Acid Dissociation Constant (pKa)

23.80

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

K788-9337 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 K788-9337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9337?
Check Price and Availability of K788-9337, 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 K788-9337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9337
  • 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 K788-9337 available by request