3453-0644 Screening compound: 3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl 4-chlorobenzoate

3453-0644 Screening compound: 3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl 4-chlorobenzoate
3453-0644 Screening compound: 3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl 4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-0644
3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl 4-chlorobenzoate

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

3453-0644

Molecular Formula

C23H15ClO5 (C23 H15 ClO5)

Compound Name

3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl 4-chlorobenzoate

IUPAC name

3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl 4-chlorobenzoate

SMILES

COc(cccc1)c1C1=COc(cc(cc2)OC(c(cc3)ccc3Cl)=O)c2C1=O

InChI

InChI=1S/C23H15ClO5/c1-27-20-5-3-2-4-17(20)19-13-28-21-12-16(10-11-18(21)22(19)25)29-23(26)14-6-8-15(24)9-7-14/h2-13H,1H3

InChI Key

VRVDIOHMFTWRBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02071862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.521

Distribution Coefficient, logD

4.521

Water Solubility, LogSw

-4.87

Polar Surface Area

48.868

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

3453-0644 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3453-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-0644?
Check Price and Availability of 3453-0644, 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 3453-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-0644
  • 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 3453-0644 available by request