C519-1606 Screening compound: 6-(azepane-1-sulfonyl)-3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-1-ethyl-1,4-dihydroquinolin-4-one

C519-1606 Screening compound: 6-(azepane-1-sulfonyl)-3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-1-ethyl-1,4-dihydroquinolin-4-one
C519-1606 Screening compound: 6-(azepane-1-sulfonyl)-3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-1-ethyl-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C519-1606
6-(azepane-1-sulfonyl)-3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-1-ethyl-1,4-dihydroquinolin-4-one

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

C519-1606

Molecular Formula

C25H33N3O6S (C25 H33 N3 O6 S)

Compound Name

6-(azepane-1-sulfonyl)-3-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-1-ethyl-1,4-dihydroquinolin-4-one

IUPAC name

6-(azepane-1-sulfonyl)-3-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-1-ethyl-14-dihydroquinolin-4-one

SMILES

CCN(C=C1C(N(CC2)CCC22OCCO2)=O)c(ccc(S(N2CCCCCC2)(=O)=O)c2)c2C1=O

InChI

InChI=1S/C25H33N3O6S/c1-2-26-18-21(24(30)27-13-9-25(10-14-27)33-15-16-34-25)23(29)20-17-19(7-8-22(20)26)35(31,32)28-11-5-3-4-6-12-28/h7-8,17-18H,2-6,9-16H2,1H3

InChI Key

IBNWNMXPUBSBFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14764798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.849

Distribution Coefficient, logD

1.849

Water Solubility, LogSw

-2.78

Polar Surface Area

78.686

Acid Dissociation Constant (pKa)

27.45

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

C519-1606 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C519-1606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C519-1606?
Check Price and Availability of C519-1606, 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 C519-1606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C519-1606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C519-1606
  • 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 C519-1606 available by request