2318-0552 Screening compound: 2-oxo-2H-chromen-7-yl 2-(4-chlorobenzoyl)benzoate

2318-0552 Screening compound: 2-oxo-2H-chromen-7-yl 2-(4-chlorobenzoyl)benzoate
2318-0552 Screening compound: 2-oxo-2H-chromen-7-yl 2-(4-chlorobenzoyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2318-0552
2-oxo-2H-chromen-7-yl 2-(4-chlorobenzoyl)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

2318-0552

Molecular Formula

C23H13ClO5 (C23 H13 ClO5)

Compound Name

2-oxo-2H-chromen-7-yl 2-(4-chlorobenzoyl)benzoate

IUPAC name

2-oxo-2H-chromen-7-yl 2-(4-chlorobenzoyl)benzoate

SMILES

O=C(c(cc1)ccc1Cl)c(cccc1)c1C(Oc(cc1)cc(O2)c1C=CC2=O)=O

InChI

InChI=1S/C23H13ClO5/c24-16-9-5-15(6-10-16)22(26)18-3-1-2-4-19(18)23(27)28-17-11-7-14-8-12-21(25)29-20(14)13-17/h1-13H

InChI Key

AAJZHOBMAODYJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01815776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.81

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.639

Distribution Coefficient, logD

4.639

Water Solubility, LogSw

-5.12

Polar Surface Area

54.491

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2318-0552 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Autophagy-Targeted Library (4564 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 2318-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2318-0552?
Check Price and Availability of 2318-0552, 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 2318-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2318-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2318-0552
  • 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 2318-0552 available by request