3029-0552 Screening compound: 4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(4-nitrophenyl)methyl]-2H-chromen-2-one

3029-0552 Screening compound: 4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(4-nitrophenyl)methyl]-2H-chromen-2-one
3029-0552 Screening compound: 4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(4-nitrophenyl)methyl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3029-0552
4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(4-nitrophenyl)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

3029-0552

Molecular Formula

C25H15NO8 (C25 H15 NO8)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1ccc(C(C(C(Oc2c3cccc2)=O)=C3O)C(C(Oc2c3cccc2)=O)=C3O)cc1)=O

InChI

InChI=1S/C25H15NO8/c27-22-15-5-1-3-7-17(15)33-24(29)20(22)19(13-9-11-14(12-10-13)26(31)32)21-23(28)16-6-2-4-8-18(16)34-25(21)30/h1-12,19,27-28H

InChI Key

OGZSNWHXIZDTOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00114704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.4

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.107

Distribution Coefficient, logD

0.251

Water Solubility, LogSw

-3.61

Polar Surface Area

105.062

Acid Dissociation Constant (pKa)

4.54

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

3029-0552 in Drug Discovery

Included in Screening Libraries

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 3029-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3029-0552?
Check Price and Availability of 3029-0552, 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 3029-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3029-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3029-0552
  • 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 3029-0552 available by request