C769-0399 Screening compound: 8-[3-(4-ethylbenzenesulfonyl)-6-methoxyquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane

C769-0399 Screening compound: 8-[3-(4-ethylbenzenesulfonyl)-6-methoxyquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
C769-0399 Screening compound: 8-[3-(4-ethylbenzenesulfonyl)-6-methoxyquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound C769-0399
8-[3-(4-ethylbenzenesulfonyl)-6-methoxyquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane

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

C769-0399

Molecular Formula

C25H28N2O5S (C25 H28 N2 O5 S)

Compound Name

8-[3-(4-ethylbenzenesulfonyl)-6-methoxyquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-[3-(4-ethylbenzenesulfonyl)-6-methoxyquinolin-4-yl]-14-dioxa-8-azaspiro[4.5]decane

SMILES

CCc(cc1)ccc1S(c(cnc(c1c2)ccc2OC)c1N(CC1)CCC11OCCO1)(=O)=O

InChI

InChI=1S/C25H28N2O5S/c1-3-18-4-7-20(8-5-18)33(28,29)23-17-26-22-9-6-19(30-2)16-21(22)24(23)27-12-10-25(11-13-27)31-14-15-32-25/h4-9,16-17H,3,10-15H2,1-2H3

InChI Key

HQAXFNGJPPJBAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.413

Distribution Coefficient, logD

4.413

Water Solubility, LogSw

-4.20

Polar Surface Area

63.423

Acid Dissociation Constant (pKa)

26.31

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C769-0399 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C769-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C769-0399?
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What is the minimum amount of C769-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C769-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C769-0399
  • 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 C769-0399 available by request