3330-4905 Screening compound: 7-hydroxy-4-phenyl-8-(piperidinomethyl)-2H-chromen-2-one

3330-4905 Screening compound: 7-hydroxy-4-phenyl-8-(piperidinomethyl)-2H-chromen-2-one
3330-4905 Screening compound: 7-hydroxy-4-phenyl-8-(piperidinomethyl)-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3330-4905
7-hydroxy-4-phenyl-8-(piperidinomethyl)-2H-chromen-2-one

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

3330-4905

Molecular Formula

C21H21NO3 (C21 H21 NO3)

Compound Name

7-hydroxy-4-phenyl-8-(piperidinomethyl)-2H-chromen-2-one

IUPAC name

7-hydroxy-4-phenyl-8-[(piperidin-1-yl)methyl]-2H-chromen-2-one

SMILES

Oc(cc1)c(CN2CCCCC2)c(O2)c1C(c1ccccc1)=CC2=O

InChI

InChI=1S/C21H21NO3/c23-19-10-9-16-17(15-7-3-1-4-8-15)13-20(24)25-21(16)18(19)14-22-11-5-2-6-12-22/h1,3-4,7-10,13,23H,2,5-6,11-12,14H2

InChI Key

PODWTADXQSKRMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01731752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.588

Distribution Coefficient, logD

3.283

Water Solubility, LogSw

-3.41

Polar Surface Area

40.339

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

3330-4905 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3330-4905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3330-4905?
Check Price and Availability of 3330-4905, 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 3330-4905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3330-4905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3330-4905
  • 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 3330-4905 available by request