3331-3662 Screening compound: 4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(pyridin-4-yl)methyl]-2H-chromen-2-one

3331-3662 Screening compound: 4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(pyridin-4-yl)methyl]-2H-chromen-2-one
3331-3662 Screening compound: 4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(pyridin-4-yl)methyl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3331-3662
4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(pyridin-4-yl)methyl]-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

3331-3662

Molecular Formula

C24H15NO6 (C24 H15 NO6)

Compound Name

4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(pyridin-4-yl)methyl]-2H-chromen-2-one

IUPAC name

4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(pyridin-4-yl)methyl]-2H-chromen-2-one

SMILES

OC(c(cccc1)c1O1)=C(C(c2ccncc2)C(C(Oc2c3cccc2)=O)=C3O)C1=O

InChI

InChI=1S/C24H15NO6/c26-21-14-5-1-3-7-16(14)30-23(28)19(21)18(13-9-11-25-12-10-13)20-22(27)15-6-2-4-8-17(15)31-24(20)29/h1-12,18,26-27H

InChI Key

AJQRDMVKOFZTNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00839110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.023

Distribution Coefficient, logD

-0.833

Water Solubility, LogSw

-2.71

Polar Surface Area

81.109

Acid Dissociation Constant (pKa)

4.54

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

3331-3662 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3331-3662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3331-3662?
Check Price and Availability of 3331-3662, 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 3331-3662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3331-3662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3331-3662
  • 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 3331-3662 available by request