K788-9178 Screening compound: N-cyclopropyl-2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)acetamide

K788-9178 Screening compound: N-cyclopropyl-2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)acetamide
K788-9178 Screening compound: N-cyclopropyl-2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9178
N-cyclopropyl-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

K788-9178

Molecular Formula

C18H22N2O3S (C18 H22 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-c1nc(CSCC(NC2CC2)=O)c(C)o1

InChI

InChI=1S/C18H22N2O3S/c1-3-22-15-8-4-13(5-9-15)18-20-16(12(2)23-18)10-24-11-17(21)19-14-6-7-14/h4-5,8-9,14H,3,6-7,10-11H2,1-2H3,(H,19,21)

InChI Key

KJKRTEBDWADQLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.45

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

3.388

Distribution Coefficient, logD

3.388

Water Solubility, LogSw

-3.52

Polar Surface Area

49.740

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

K788-9178 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with K788-9178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9178?
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What is the minimum amount of K788-9178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9178
  • 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 K788-9178 available by request