0945-0102 Screening compound: 3-acetyl-6-methoxy-2H-chromen-2-one

0945-0102 Screening compound: 3-acetyl-6-methoxy-2H-chromen-2-one
0945-0102 Screening compound: 3-acetyl-6-methoxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0945-0102
3-acetyl-6-methoxy-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

0945-0102

Molecular Formula

C12H10O4 (C12 H10 O4)

Compound Name

3-acetyl-6-methoxy-2H-chromen-2-one

IUPAC name

3-acetyl-6-methoxy-2H-chromen-2-one

SMILES

CC(C1=Cc(cc(cc2)OC)c2OC1=O)=O

InChI

InChI=1S/C12H10O4/c1-7(13)10-6-8-5-9(15-2)3-4-11(8)16-12(10)14/h3-6H,1-2H3

InChI Key

AAVQBJDAXLIBIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00488452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.326

Distribution Coefficient, logD

1.326

Water Solubility, LogSw

-1.85

Polar Surface Area

42.531

Acid Dissociation Constant (pKa)

22.78

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

0945-0102 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Fragments Library (11262 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 0945-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0945-0102?
Check Price and Availability of 0945-0102, 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 0945-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0945-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0945-0102
  • 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 0945-0102 available by request