0241-0036 Screening compound: 4-{[4-(benzoyloxy)phenyl]methyl}phenyl benzoate

0241-0036 Screening compound: 4-{[4-(benzoyloxy)phenyl]methyl}phenyl benzoate
0241-0036 Screening compound: 4-{[4-(benzoyloxy)phenyl]methyl}phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0241-0036
4-{[4-(benzoyloxy)phenyl]methyl}phenyl 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

0241-0036

Molecular Formula

C27H20O4 (C27 H20 O4)

Compound Name

4-{[4-(benzoyloxy)phenyl]methyl}phenyl benzoate

IUPAC name

4-{[4-(benzoyloxy)phenyl]methyl}phenyl benzoate

SMILES

O=C(c1ccccc1)Oc1ccc(Cc(cc2)ccc2OC(c2ccccc2)=O)cc1

InChI

InChI=1S/C27H20O4/c28-26(22-7-3-1-4-8-22)30-24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)31-27(29)23-9-5-2-6-10-23/h1-18H,19H2

InChI Key

PBIJJZDWKLQVLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.851

Distribution Coefficient, logD

5.851

Water Solubility, LogSw

-6.06

Polar Surface Area

40.722

Acid Dissociation Constant (pKa)

26.93

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

0241-0036 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 0241-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0241-0036?
Check Price and Availability of 0241-0036, 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 0241-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0241-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0241-0036
  • 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 0241-0036 available by request