C519-1899 Screening compound: ethyl 4-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carbonyl}piperazine-1-carboxylate

C519-1899 Screening compound: ethyl 4-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carbonyl}piperazine-1-carboxylate
C519-1899 Screening compound: ethyl 4-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carbonyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C519-1899
ethyl 4-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carbonyl}piperazine-1-carboxylate

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

C519-1899

Molecular Formula

C26H36N4O6S (C26 H36 N4 O6 S)

Compound Name

ethyl 4-{6-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carbonyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{6-[(35-dimethylpiperidin-1-yl)sulfonyl]-1-ethyl-4-oxo-14-dihydroquinoline-3-carbonyl}piperazine-1-carboxylate

SMILES

CCN(C=C1C(N(CC2)CCN2C(OCC)=O)=O)c(ccc(S(N2CC(C)CC(C)C2)(=O)=O)c2)c2C1=O

InChI

InChI=1S/C26H36N4O6S/c1-5-27-17-22(25(32)28-9-11-29(12-10-28)26(33)36-6-2)24(31)21-14-20(7-8-23(21)27)37(34,35)30-15-18(3)13-19(4)16-30/h7-8,14,17-19H,5-6,9-13,15-16H2,1-4H3

InChI Key

KIURCQDDZLYEQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14764936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.66

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.788

Distribution Coefficient, logD

2.788

Water Solubility, LogSw

-3.49

Polar Surface Area

86.565

Acid Dissociation Constant (pKa)

25.38

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.70

C519-1899 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C519-1899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C519-1899?
Check Price and Availability of C519-1899, 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 C519-1899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C519-1899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C519-1899
  • 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 C519-1899 available by request