3992-2777 Screening compound: 3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl 2,6-dimethoxybenzoate

3992-2777 Screening compound: 3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl 2,6-dimethoxybenzoate
3992-2777 Screening compound: 3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl 2,6-dimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3992-2777
3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl 2,6-dimethoxybenzoate

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

3992-2777

Molecular Formula

C24H17ClO6 (C24 H17 ClO6)

Compound Name

3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl 2,6-dimethoxybenzoate

IUPAC name

3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl 26-dimethoxybenzoate

SMILES

COc1cccc(OC)c1C(Oc(cc1)cc(OC=C2c(cccc3)c3Cl)c1C2=O)=O

InChI

InChI=1S/C24H17ClO6/c1-28-19-8-5-9-20(29-2)22(19)24(27)31-14-10-11-16-21(12-14)30-13-17(23(16)26)15-6-3-4-7-18(15)25/h3-13H,1-2H3

InChI Key

LMJGXQXJIDWVLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02333765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.942

Distribution Coefficient, logD

3.942

Water Solubility, LogSw

-4.51

Polar Surface Area

56.499

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

3992-2777 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 3992-2777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3992-2777?
Check Price and Availability of 3992-2777, 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 3992-2777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3992-2777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3992-2777
  • 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 3992-2777 available by request