D216-0051 Screening compound: N1-(8-methoxy-4-oxo-1,4-dihydroquinolin-3-yl)piperidine-1,3-dicarboxamide

D216-0051 Screening compound: N1-(8-methoxy-4-oxo-1,4-dihydroquinolin-3-yl)piperidine-1,3-dicarboxamide
D216-0051 Screening compound: N1-(8-methoxy-4-oxo-1,4-dihydroquinolin-3-yl)piperidine-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0051
N1-(8-methoxy-4-oxo-1,4-dihydroquinolin-3-yl)piperidine-1,3-dicarboxamide

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

D216-0051

Molecular Formula

C17H20N4O4 (C17 H20 N4 O4)

Compound Name

N1-(8-methoxy-4-oxo-1,4-dihydroquinolin-3-yl)piperidine-1,3-dicarboxamide

IUPAC name

N1-(8-methoxy-4-oxo-14-dihydroquinolin-3-yl)piperidine-13-dicarboxamide

SMILES

COc1cccc(C2=O)c1NC=C2NC(N(CCC1)CC1C(N)=O)=O

InChI

InChI=1S/C17H20N4O4/c1-25-13-6-2-5-11-14(13)19-8-12(15(11)22)20-17(24)21-7-3-4-10(9-21)16(18)23/h2,5-6,8,10H,3-4,7,9H2,1H3,(H2,18,23)(H,19,22)(H,20,24)/t10-/m0/s1

InChI Key

DKAULGCUCBXOQZ-JTQLQIEISA-N

MDL Number (MFCD)

MFCD14814207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.321

Distribution Coefficient, logD

0.259

Water Solubility, LogSw

-2.18

Polar Surface Area

90.161

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

-6.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

D216-0051 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D216-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0051?
Check Price and Availability of D216-0051, 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 D216-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0051
  • 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 D216-0051 available by request