D456-0462 Screening compound: 4-({ethyl[(4-methylphenyl)methyl]amino}methyl)-6-methoxy-2H-chromen-2-one

D456-0462 Screening compound: 4-({ethyl[(4-methylphenyl)methyl]amino}methyl)-6-methoxy-2H-chromen-2-one
D456-0462 Screening compound: 4-({ethyl[(4-methylphenyl)methyl]amino}methyl)-6-methoxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D456-0462
4-({ethyl[(4-methylphenyl)methyl]amino}methyl)-6-methoxy-2H-chromen-2-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

D456-0462

Molecular Formula

C21H23NO3 (C21 H23 NO3)

Compound Name

4-({ethyl[(4-methylphenyl)methyl]amino}methyl)-6-methoxy-2H-chromen-2-one

IUPAC name

4-({ethyl[(4-methylphenyl)methyl]amino}methyl)-6-methoxy-2H-chromen-2-one

SMILES

CCN(Cc1ccc(C)cc1)CC(c(cc(cc1)OC)c1O1)=CC1=O

InChI

InChI=1S/C21H23NO3/c1-4-22(13-16-7-5-15(2)6-8-16)14-17-11-21(23)25-20-10-9-18(24-3)12-19(17)20/h5-12H,4,13-14H2,1-3H3

InChI Key

VVZHCVKRNXULQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.842

Distribution Coefficient, logD

3.632

Water Solubility, LogSw

-3.99

Polar Surface Area

31.626

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D456-0462 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D456-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D456-0462?
Check Price and Availability of D456-0462, 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 D456-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D456-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D456-0462
  • 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 D456-0462 available by request