K788-9229 Screening compound: 1-(4-cyclohexylpiperazin-1-yl)-2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)ethan-1-one

K788-9229 Screening compound: 1-(4-cyclohexylpiperazin-1-yl)-2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)ethan-1-one
K788-9229 Screening compound: 1-(4-cyclohexylpiperazin-1-yl)-2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9229
1-(4-cyclohexylpiperazin-1-yl)-2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)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

K788-9229

Molecular Formula

C25H35N3O4S (C25 H35 N3 O4 S)

Compound Name

1-(4-cyclohexylpiperazin-1-yl)-2-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)ethan-1-one

IUPAC name

1-(4-cyclohexylpiperazin-1-yl)-2-({[2-(34-dimethoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}sulfanyl)ethan-1-one

SMILES

Cc1c(CSCC(N(CC2)CCN2C2CCCCC2)=O)nc(-c(cc2)cc(OC)c2OC)o1

InChI

InChI=1S/C25H35N3O4S/c1-18-21(26-25(32-18)19-9-10-22(30-2)23(15-19)31-3)16-33-17-24(29)28-13-11-27(12-14-28)20-7-5-4-6-8-20/h9-10,15,20H,4-8,11-14,16-17H2,1-3H3

InChI Key

RTFGYBAMFJVGHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.64

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

3.851

Distribution Coefficient, logD

3.742

Water Solubility, LogSw

-3.92

Polar Surface Area

52.836

Acid Dissociation Constant (pKa)

23.80

Base Dissociation Constant (pKb)

6.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

K788-9229 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K788-9229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9229?
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What is the minimum amount of K788-9229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9229
  • 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 K788-9229 available by request