0584-0029 Screening compound: 2-oxo-2-phenylethyl 4-[hydroxy(phenyl)methyl]benzoate

0584-0029 Screening compound: 2-oxo-2-phenylethyl 4-[hydroxy(phenyl)methyl]benzoate
0584-0029 Screening compound: 2-oxo-2-phenylethyl 4-[hydroxy(phenyl)methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0584-0029
2-oxo-2-phenylethyl 4-[hydroxy(phenyl)methyl]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

0584-0029

Molecular Formula

C22H18O4 (C22 H18 O4)

Compound Name

2-oxo-2-phenylethyl 4-[hydroxy(phenyl)methyl]benzoate

IUPAC name

2-oxo-2-phenylethyl 4-[hydroxy(phenyl)methyl]benzoate

SMILES

OC(c1ccccc1)c(cc1)ccc1C(OCC(c1ccccc1)=O)=O

InChI

InChI=1S/C22H18O4/c23-20(16-7-3-1-4-8-16)15-26-22(25)19-13-11-18(12-14-19)21(24)17-9-5-2-6-10-17/h1-14,21,24H,15H2/t21-/m0/s1

InChI Key

JMBSZQKLYSVVEG-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00634880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.812

Distribution Coefficient, logD

3.812

Water Solubility, LogSw

-4.11

Polar Surface Area

49.756

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

0584-0029 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0584-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0584-0029?
Check Price and Availability of 0584-0029, 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 0584-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0584-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0584-0029
  • 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 0584-0029 available by request