C519-2709 Screening compound: 6-(azepane-1-sulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide

C519-2709 Screening compound: 6-(azepane-1-sulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
C519-2709 Screening compound: 6-(azepane-1-sulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C519-2709
6-(azepane-1-sulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-1-(prop-2-en-1-yl)-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

C519-2709

Molecular Formula

C31H39N3O6S (C31 H39 N3 O6 S)

Compound Name

6-(azepane-1-sulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide

IUPAC name

6-(azepane-1-sulfonyl)-N-[2-(34-diethoxyphenyl)ethyl]-4-oxo-1-(prop-2-en-1-yl)-14-dihydroquinoline-3-carboxamide

SMILES

CCOc(ccc(CCNC(C1=CN(CC=C)c(ccc(S(N2CCCCCC2)(=O)=O)c2)c2C1=O)=O)c1)c1OCC

InChI

InChI=1S/C31H39N3O6S/c1-4-17-33-22-26(31(36)32-16-15-23-11-14-28(39-5-2)29(20-23)40-6-3)30(35)25-21-24(12-13-27(25)33)41(37,38)34-18-9-7-8-10-19-34/h4,11-14,20-22H,1,5-10,15-19H2,2-3H3,(H,32,36)

InChI Key

REEMFUCCVURPRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

581.73

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.565

Distribution Coefficient, logD

3.565

Water Solubility, LogSw

-4.01

Polar Surface Area

86.530

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

C519-2709 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C519-2709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C519-2709?
Check Price and Availability of C519-2709, 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 C519-2709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C519-2709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C519-2709
  • 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 C519-2709 available by request