K788-9209 Screening compound: N-(2,3-dimethylcyclohexyl)-2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)acetamide

K788-9209 Screening compound: N-(2,3-dimethylcyclohexyl)-2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)acetamide
K788-9209 Screening compound: N-(2,3-dimethylcyclohexyl)-2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9209
N-(2,3-dimethylcyclohexyl)-2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)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

K788-9209

Molecular Formula

C23H32N2O3S (C23 H32 N2 O3 S)

Compound Name

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

IUPAC name

N-(23-dimethylcyclohexyl)-2-({[2-(4-ethoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}sulfanyl)acetamide

SMILES

CCOc(cc1)ccc1-c1nc(CSCC(NC2C(C)C(C)CCC2)=O)c(C)o1

InChI

InChI=1S/C23H32N2O3S/c1-5-27-19-11-9-18(10-12-19)23-25-21(17(4)28-23)13-29-14-22(26)24-20-8-6-7-15(2)16(20)3/h9-12,15-16,20H,5-8,13-14H2,1-4H3,(H,24,26)

InChI Key

BOLRBHQKNRDNDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.58

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

4.858

Distribution Coefficient, logD

4.858

Water Solubility, LogSw

-4.43

Polar Surface Area

49.799

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

56.50

K788-9209 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 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
  • 3D

References: we are preparing a list of scientific research reports with K788-9209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9209?
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What is the minimum amount of K788-9209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9209
  • 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 K788-9209 available by request