2712-5139 Screening compound: 3-(4-chlorophenyl)-8-[(diethylamino)methyl]-7-hydroxy-4H-chromen-4-one

2712-5139 Screening compound: 3-(4-chlorophenyl)-8-[(diethylamino)methyl]-7-hydroxy-4H-chromen-4-one
2712-5139 Screening compound: 3-(4-chlorophenyl)-8-[(diethylamino)methyl]-7-hydroxy-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2712-5139
3-(4-chlorophenyl)-8-[(diethylamino)methyl]-7-hydroxy-4H-chromen-4-one

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

2712-5139

Molecular Formula

C20H20ClNO3 (C20 H20 ClNO3)

Compound Name

3-(4-chlorophenyl)-8-[(diethylamino)methyl]-7-hydroxy-4H-chromen-4-one

IUPAC name

3-(4-chlorophenyl)-8-[(diethylamino)methyl]-7-hydroxy-4H-chromen-4-one

SMILES

CCN(CC)Cc(c(OC=C1c(cc2)ccc2Cl)c(cc2)C1=O)c2O

InChI

InChI=1S/C20H20ClNO3/c1-3-22(4-2)11-16-18(23)10-9-15-19(24)17(12-25-20(15)16)13-5-7-14(21)8-6-13/h5-10,12,23H,3-4,11H2,1-2H3

InChI Key

IRHGBZGOHWRMDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01847992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.099

Distribution Coefficient, logD

3.630

Water Solubility, LogSw

-4.29

Polar Surface Area

40.525

Acid Dissociation Constant (pKa)

7.58

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

2712-5139 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 2712-5139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2712-5139?
Check Price and Availability of 2712-5139, 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 2712-5139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2712-5139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2712-5139
  • 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 2712-5139 available by request