C519-0505 Screening compound: N-[2-(azepan-1-yl)ethyl]-1-methyl-6-(morpholine-4-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

C519-0505 Screening compound: N-[2-(azepan-1-yl)ethyl]-1-methyl-6-(morpholine-4-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
C519-0505 Screening compound: N-[2-(azepan-1-yl)ethyl]-1-methyl-6-(morpholine-4-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C519-0505
N-[2-(azepan-1-yl)ethyl]-1-methyl-6-(morpholine-4-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

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

C519-0505

Molecular Formula

C23H32N4O5S (C23 H32 N4 O5 S)

Compound Name

N-[2-(azepan-1-yl)ethyl]-1-methyl-6-(morpholine-4-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

IUPAC name

N-[2-(azepan-1-yl)ethyl]-1-methyl-6-(morpholine-4-sulfonyl)-4-oxo-14-dihydroquinoline-3-carboxamide

SMILES

CN(C=C1C(NCCN2CCCCCC2)=O)c(ccc(S(N2CCOCC2)(=O)=O)c2)c2C1=O

InChI

InChI=1S/C23H32N4O5S/c1-25-17-20(23(29)24-8-11-26-9-4-2-3-5-10-26)22(28)19-16-18(6-7-21(19)25)33(30,31)27-12-14-32-15-13-27/h6-7,16-17H,2-5,8-15H2,1H3,(H,24,29)

InChI Key

VMHKCLUNALQUIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14764450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.946

Distribution Coefficient, logD

-0.941

Water Solubility, LogSw

-2.66

Polar Surface Area

83.737

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

9.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

C519-0505 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C519-0505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C519-0505?
Check Price and Availability of C519-0505, 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 C519-0505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C519-0505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C519-0505
  • 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 C519-0505 available by request