K788-9181 Screening compound: 2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

K788-9181 Screening compound: 2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
K788-9181 Screening compound: 2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9181
2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

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

K788-9181

Molecular Formula

C25H28N2O3S (C25 H28 N2 O3 S)

Compound Name

2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

IUPAC name

2-({[2-(4-ethoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}sulfanyl)-N-(1234-tetrahydronaphthalen-1-yl)acetamide

SMILES

CCOc(cc1)ccc1-c1nc(CSCC(NC(CCC2)c3c2cccc3)=O)c(C)o1

InChI

InChI=1S/C25H28N2O3S/c1-3-29-20-13-11-19(12-14-20)25-27-23(17(2)30-25)15-31-16-24(28)26-22-10-6-8-18-7-4-5-9-21(18)22/h4-5,7,9,11-14,22H,3,6,8,10,15-16H2,1-2H3,(H,26,28)/t22-/m0/s1

InChI Key

QSQPGPRHGGCJFI-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD15108348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.450

Distribution Coefficient, logD

5.450

Water Solubility, LogSw

-5.37

Polar Surface Area

49.528

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

K788-9181 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human Ion Channels Annotated Library (353 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K788-9181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9181?
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What is the minimum amount of K788-9181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9181
  • 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 K788-9181 available by request