C564-0213 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]acetamide

C564-0213 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]acetamide
C564-0213 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C564-0213
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)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

C564-0213

Molecular Formula

C23H24N2O4S (C23 H24 N2 O4 S)

Compound Name

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]acetamide

IUPAC name

N-[1-(23-dihydro-14-benzodioxin-6-yl)ethyl]-2-[(1-ethyl-2-oxo-12-dihydroquinolin-4-yl)sulfanyl]acetamide

SMILES

CCN(c(cccc1)c1C(SCC(NC(C)c(cc1)cc2c1OCCO2)=O)=C1)C1=O

InChI

InChI=1S/C23H24N2O4S/c1-3-25-18-7-5-4-6-17(18)21(13-23(25)27)30-14-22(26)24-15(2)16-8-9-19-20(12-16)29-11-10-28-19/h4-9,12-13,15H,3,10-11,14H2,1-2H3,(H,24,26)/t15-/m0/s1

InChI Key

JAGDRQUWTXGVEI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14772300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.390

Distribution Coefficient, logD

2.390

Water Solubility, LogSw

-3.02

Polar Surface Area

54.801

Acid Dissociation Constant (pKa)

14.89

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

C564-0213 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C564-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C564-0213?
Check Price and Availability of C564-0213, 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 C564-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C564-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C564-0213
  • 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 C564-0213 available by request