D456-0791 Screening compound: 4-{[(2-methoxyethyl)({[4-(propan-2-yl)phenyl]methyl})amino]methyl}-7,8-dimethyl-2H-chromen-2-one

D456-0791 Screening compound: 4-{[(2-methoxyethyl)({[4-(propan-2-yl)phenyl]methyl})amino]methyl}-7,8-dimethyl-2H-chromen-2-one
D456-0791 Screening compound: 4-{[(2-methoxyethyl)({[4-(propan-2-yl)phenyl]methyl})amino]methyl}-7,8-dimethyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D456-0791
4-{[(2-methoxyethyl)({[4-(propan-2-yl)phenyl]methyl})amino]methyl}-7,8-dimethyl-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

D456-0791

Molecular Formula

C25H31NO3 (C25 H31 NO3)

Compound Name

4-{[(2-methoxyethyl)({[4-(propan-2-yl)phenyl]methyl})amino]methyl}-7,8-dimethyl-2H-chromen-2-one

IUPAC name

4-{[(2-methoxyethyl)({[4-(propan-2-yl)phenyl]methyl})amino]methyl}-78-dimethyl-2H-chromen-2-one

SMILES

CC(C)c1ccc(CN(CCOC)CC(c(ccc(C)c2C)c2O2)=CC2=O)cc1

InChI

InChI=1S/C25H31NO3/c1-17(2)21-9-7-20(8-10-21)15-26(12-13-28-5)16-22-14-24(27)29-25-19(4)18(3)6-11-23(22)25/h6-11,14,17H,12-13,15-16H2,1-5H3

InChI Key

WZYJIHWWDBAGCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.393

Distribution Coefficient, logD

5.185

Water Solubility, LogSw

-5.36

Polar Surface Area

32.363

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D456-0791 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

STING Agonist Library (5895 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D456-0791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D456-0791?
Check Price and Availability of D456-0791, 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 D456-0791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D456-0791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D456-0791
  • 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 D456-0791 available by request