0109-0166 Screening compound: 3-(acetyloxy)-4-benzoylphenyl acetate

0109-0166 Screening compound: 3-(acetyloxy)-4-benzoylphenyl acetate
0109-0166 Screening compound: 3-(acetyloxy)-4-benzoylphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0109-0166
3-(acetyloxy)-4-benzoylphenyl 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

0109-0166

Molecular Formula

C17H14O5 (C17 H14 O5)

Compound Name

3-(acetyloxy)-4-benzoylphenyl acetate

IUPAC name

3-(acetyloxy)-4-benzoylphenyl acetate

SMILES

CC(Oc(cc1)cc(OC(C)=O)c1C(c1ccccc1)=O)=O

InChI

InChI=1S/C17H14O5/c1-11(18)21-14-8-9-15(16(10-14)22-12(2)19)17(20)13-6-4-3-5-7-13/h3-10H,1-2H3

InChI Key

BPOQMDAPVNAZKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00409041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.249

Distribution Coefficient, logD

2.249

Water Solubility, LogSw

-2.96

Polar Surface Area

55.294

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

0109-0166 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cardiovascular Library (22201 compounds)

Frequent Hitters Library (7624 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
  • Pool
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 0109-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0109-0166?
Check Price and Availability of 0109-0166, 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 0109-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0109-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0109-0166
  • 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 0109-0166 available by request