8015-0042 Screening compound: 7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl acetate

8015-0042 Screening compound: 7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl acetate
8015-0042 Screening compound: 7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0042
7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl acetate

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

8015-0042

Molecular Formula

C23H20O11 (C23 H20 O11)

Compound Name

7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl acetate

IUPAC name

7-(acetyloxy)-2-[34-bis(acetyloxy)phenyl]-5-hydroxy-4-oxo-34-dihydro-2H-1-benzopyran-3-yl acetate

SMILES

CC(OC(C(c(cc1)cc(OC(C)=O)c1OC(C)=O)Oc1c2c(O)cc(OC(C)=O)c1)C2=O)=O

InChI

InChI=1S/C23H20O11/c1-10(24)30-15-8-16(28)20-19(9-15)34-22(23(21(20)29)33-13(4)27)14-5-6-17(31-11(2)25)18(7-14)32-12(3)26/h5-9,22-23,28H,1-4H3

InChI Key

JYNJWKIFSPJVHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03792687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.41

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.637

Distribution Coefficient, logD

1.530

Water Solubility, LogSw

-2.03

Polar Surface Area

119.842

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.10

8015-0042 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

CNS Annotated Library (688 compounds)

Glucocorticoid receptors Library (4806 compounds)

Akt-Targeted Library (14764 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Nuclear receptors
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8015-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0042?
Check Price and Availability of 8015-0042, 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 8015-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0042
  • 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 8015-0042 available by request