K788-9349 Screening compound: 2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethan-1-one

K788-9349 Screening compound: 2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethan-1-one
K788-9349 Screening compound: 2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9349
2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-1-[4-(3-methoxyphenyl)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

K788-9349

Molecular Formula

C26H31N3O4S (C26 H31 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C26H31N3O4S/c1-4-32-22-10-8-20(9-11-22)26-27-24(19(2)33-26)17-34-18-25(30)29-14-12-28(13-15-29)21-6-5-7-23(16-21)31-3/h5-11,16H,4,12-15,17-18H2,1-3H3

InChI Key

IAOBXTCQCGSRPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.762

Distribution Coefficient, logD

4.762

Water Solubility, LogSw

-4.56

Polar Surface Area

52.409

Acid Dissociation Constant (pKa)

23.80

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

K788-9349 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K788-9349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9349?
Check Price and Availability of K788-9349, 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 K788-9349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9349
  • 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 K788-9349 available by request