8013-0308 Screening compound: 2-(4-methoxyanilino)-3-piperidinonaphthoquinone

8013-0308 Screening compound: 2-(4-methoxyanilino)-3-piperidinonaphthoquinone
8013-0308 Screening compound: 2-(4-methoxyanilino)-3-piperidinonaphthoquinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0308
2-(4-methoxyanilino)-3-piperidinonaphthoquinone

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

8013-0308

Molecular Formula

C22H22N2O3 (C22 H22 N2 O3)

Compound Name

2-(4-methoxyanilino)-3-piperidinonaphthoquinone

IUPAC name

2-[(4-methoxyphenyl)amino]-3-(piperidin-1-yl)-14-dihydronaphthalene-14-dione

SMILES

COc(cc1)ccc1NC(C(c(cccc1)c1C1=O)=O)=C1N1CCCCC1

InChI

InChI=1S/C22H22N2O3/c1-27-16-11-9-15(10-12-16)23-19-20(24-13-5-2-6-14-24)22(26)18-8-4-3-7-17(18)21(19)25/h3-4,7-12,23H,2,5-6,13-14H2,1H3

InChI Key

UFJCLJJJMKCACZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02332450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.083

Distribution Coefficient, logD

3.541

Water Solubility, LogSw

-4.29

Polar Surface Area

46.478

Acid Dissociation Constant (pKa)

8.46

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

References: we are preparing a list of scientific research reports with 8013-0308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0308?
Check Price and Availability of 8013-0308, 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 8013-0308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0308
  • 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 8013-0308 available by request