C519-1653 Screening compound: 6-(azepane-1-sulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide

C519-1653 Screening compound: 6-(azepane-1-sulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
C519-1653 Screening compound: 6-(azepane-1-sulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C519-1653
6-(azepane-1-sulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-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

C519-1653

Molecular Formula

C30H39N3O6S (C30 H39 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(C=C1C(NCCc(cc2)cc(OCC)c2OCC)=O)c(ccc(S(N2CCCCCC2)(=O)=O)c2)c2C1=O

InChI

InChI=1S/C30H39N3O6S/c1-4-32-21-25(30(35)31-16-15-22-11-14-27(38-5-2)28(19-22)39-6-3)29(34)24-20-23(12-13-26(24)32)40(36,37)33-17-9-7-8-10-18-33/h11-14,19-21H,4-10,15-18H2,1-3H3,(H,31,35)

InChI Key

MHOQOKRADRQADM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14764819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.72

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.325

Distribution Coefficient, logD

3.325

Water Solubility, LogSw

-3.91

Polar Surface Area

86.276

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

C519-1653 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 C519-1653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C519-1653?
Check Price and Availability of C519-1653, 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 C519-1653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C519-1653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C519-1653
  • 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 C519-1653 available by request