0828-0202 Screening compound: 2-acetyl-4-methylphenyl benzoate

0828-0202 Screening compound: 2-acetyl-4-methylphenyl benzoate
0828-0202 Screening compound: 2-acetyl-4-methylphenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0828-0202
2-acetyl-4-methylphenyl benzoate

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

0828-0202

Molecular Formula

C16H14O3 (C16 H14 O3)

Compound Name

2-acetyl-4-methylphenyl benzoate

IUPAC name

2-acetyl-4-methylphenyl benzoate

SMILES

CC(c(cc(C)cc1)c1OC(c1ccccc1)=O)=O

InChI

InChI=1S/C16H14O3/c1-11-8-9-15(14(10-11)12(2)17)19-16(18)13-6-4-3-5-7-13/h3-10H,1-2H3

InChI Key

OGQFJFUZNHFWEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01534321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.034

Distribution Coefficient, logD

3.034

Water Solubility, LogSw

-3.33

Polar Surface Area

34.530

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0828-0202 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0828-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0828-0202?
Check Price and Availability of 0828-0202, 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 0828-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0828-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0828-0202
  • 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 0828-0202 available by request