1168-0261 Screening compound: 2-phenyl-6-piperidino-1H-benzo[de]isoquinoline-1,3(2H)-dione

1168-0261 Screening compound: 2-phenyl-6-piperidino-1H-benzo[de]isoquinoline-1,3(2H)-dione
1168-0261 Screening compound: 2-phenyl-6-piperidino-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1168-0261
2-phenyl-6-piperidino-1H-benzo[de]isoquinoline-1,3(2H)-dione

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

1168-0261

Molecular Formula

C23H20N2O2 (C23 H20 N2 O2)

Compound Name

2-phenyl-6-piperidino-1H-benzo[de]isoquinoline-1,3(2H)-dione

IUPAC name

3-phenyl-8-(piperidin-1-yl)-3-azatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaene-24-dione

SMILES

O=C(c(cccc12)c1c1ccc2N2CCCCC2)N(c2ccccc2)C1=O

InChI

InChI=1S/C23H20N2O2/c26-22-18-11-7-10-17-20(24-14-5-2-6-15-24)13-12-19(21(17)18)23(27)25(22)16-8-3-1-4-9-16/h1,3-4,7-13H,2,5-6,14-15H2

InChI Key

XVGBYVDAMKJEAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00358475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.171

Distribution Coefficient, logD

4.171

Water Solubility, LogSw

-4.55

Polar Surface Area

31.394

Acid Dissociation Constant (pKa)

26.73

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

1168-0261 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1168-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1168-0261?
Check Price and Availability of 1168-0261, 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 1168-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1168-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1168-0261
  • 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 1168-0261 available by request