C769-0117 Screening compound: 8-[3-(benzenesulfonyl)-6-chloroquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane

C769-0117 Screening compound: 8-[3-(benzenesulfonyl)-6-chloroquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
C769-0117 Screening compound: 8-[3-(benzenesulfonyl)-6-chloroquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound C769-0117
8-[3-(benzenesulfonyl)-6-chloroquinolin-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

C769-0117

Molecular Formula

C22H21ClN2O4S (C22 H21 ClN2 O4 S)

Compound Name

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

IUPAC name

8-[3-(benzenesulfonyl)-6-chloroquinolin-4-yl]-14-dioxa-8-azaspiro[4.5]decane

SMILES

O=S(c1ccccc1)(c1cnc(ccc(Cl)c2)c2c1N(CC1)CCC11OCCO1)=O

InChI

InChI=1S/C22H21ClN2O4S/c23-16-6-7-19-18(14-16)21(25-10-8-22(9-11-25)28-12-13-29-22)20(15-24-19)30(26,27)17-4-2-1-3-5-17/h1-7,14-15H,8-13H2

InChI Key

OSROBGCFVANLCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06402675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.950

Distribution Coefficient, logD

3.950

Water Solubility, LogSw

-4.29

Polar Surface Area

55.879

Acid Dissociation Constant (pKa)

25.92

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C769-0117 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C769-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C769-0117?
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What is the minimum amount of C769-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C769-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C769-0117
  • 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 C769-0117 available by request