D456-0453 Screening compound: 4-({[(4-chlorophenyl)methyl](propyl)amino}methyl)-6-methoxy-2H-chromen-2-one

D456-0453 Screening compound: 4-({[(4-chlorophenyl)methyl](propyl)amino}methyl)-6-methoxy-2H-chromen-2-one
D456-0453 Screening compound: 4-({[(4-chlorophenyl)methyl](propyl)amino}methyl)-6-methoxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D456-0453
4-({[(4-chlorophenyl)methyl](propyl)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

D456-0453

Molecular Formula

C21H22ClNO3 (C21 H22 ClNO3)

Compound Name

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

IUPAC name

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

SMILES

CCCN(Cc(cc1)ccc1Cl)CC(c(cc(cc1)OC)c1O1)=CC1=O

InChI

InChI=1S/C21H22ClNO3/c1-3-10-23(13-15-4-6-17(22)7-5-15)14-16-11-21(24)26-20-9-8-18(25-2)12-19(16)20/h4-9,11-12H,3,10,13-14H2,1-2H3

InChI Key

RVLAWPQALDBVJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.445

Distribution Coefficient, logD

4.423

Water Solubility, LogSw

-4.76

Polar Surface Area

31.880

Acid Dissociation Constant (pKa)

27.38

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D456-0453 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Others

References: we are preparing a list of scientific research reports with D456-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D456-0453?
Check Price and Availability of D456-0453, 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 D456-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D456-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D456-0453
  • 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 D456-0453 available by request