K869-0282 Screening compound: N-(4-ethoxyphenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

K869-0282 Screening compound: N-(4-ethoxyphenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide
K869-0282 Screening compound: N-(4-ethoxyphenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K869-0282
N-(4-ethoxyphenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

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

K869-0282

Molecular Formula

C18H18N2O3S (C18 H18 N2 O3 S)

Compound Name

N-(4-ethoxyphenyl)-3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

IUPAC name

N-(4-ethoxyphenyl)-3-(2-sulfanylidene-23-dihydro-13-benzoxazol-3-yl)propanamide

SMILES

CCOc(cc1)ccc1NC(CCN(c(cccc1)c1O1)C1=S)=O

InChI

InChI=1S/C18H18N2O3S/c1-2-22-14-9-7-13(8-10-14)19-17(21)11-12-20-15-5-3-4-6-16(15)23-18(20)24/h3-10H,2,11-12H2,1H3,(H,19,21)

InChI Key

BYEJJNMBWNXBPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02939750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.671

Distribution Coefficient, logD

3.671

Water Solubility, LogSw

-3.94

Polar Surface Area

40.126

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K869-0282 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Transcription Factors Annotated Library (5098 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

References: we are preparing a list of scientific research reports with K869-0282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K869-0282?
Check Price and Availability of K869-0282, 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 K869-0282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K869-0282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K869-0282
  • 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 K869-0282 available by request