K788-9347 Screening compound: 2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

K788-9347 Screening compound: 2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
K788-9347 Screening compound: 2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9347
2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-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

K788-9347

Molecular Formula

C26H28F3N3O3S (C26 H28 F3 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-c1nc(CSCC(N(CC2)CCN2c2cc(C(F)(F)F)ccc2)=O)c(C)o1

InChI

InChI=1S/C26H28F3N3O3S/c1-3-34-22-9-7-19(8-10-22)25-30-23(18(2)35-25)16-36-17-24(33)32-13-11-31(12-14-32)21-6-4-5-20(15-21)26(27,28)29/h4-10,15H,3,11-14,16-17H2,1-2H3

InChI Key

HKMJTRACYWYOBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.455

Distribution Coefficient, logD

5.455

Water Solubility, LogSw

-5.51

Polar Surface Area

44.865

Acid Dissociation Constant (pKa)

23.80

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

K788-9347 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS targets activity set (6557 compounds)

MCL1 Targeted Library (12200 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
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with K788-9347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9347?
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What is the minimum amount of K788-9347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9347
  • 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 K788-9347 available by request