D154-0455 Screening compound: 6-methoxy-4-[(1,2,3,4-tetrahydroquinolin-1-yl)methyl]-2H-chromen-2-one

D154-0455 Screening compound: 6-methoxy-4-[(1,2,3,4-tetrahydroquinolin-1-yl)methyl]-2H-chromen-2-one
D154-0455 Screening compound: 6-methoxy-4-[(1,2,3,4-tetrahydroquinolin-1-yl)methyl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D154-0455
6-methoxy-4-[(1,2,3,4-tetrahydroquinolin-1-yl)methyl]-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

D154-0455

Molecular Formula

C20H19NO3 (C20 H19 NO3)

Compound Name

6-methoxy-4-[(1,2,3,4-tetrahydroquinolin-1-yl)methyl]-2H-chromen-2-one

IUPAC name

6-methoxy-4-[(1234-tetrahydroquinolin-1-yl)methyl]-2H-chromen-2-one

SMILES

COc(cc1)cc(C(CN(CCC2)c3c2cccc3)=C2)c1OC2=O

InChI

InChI=1S/C20H19NO3/c1-23-16-8-9-19-17(12-16)15(11-20(22)24-19)13-21-10-4-6-14-5-2-3-7-18(14)21/h2-3,5,7-9,11-12H,4,6,10,13H2,1H3

InChI Key

WWONHFNTVFDZSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08122545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.754

Distribution Coefficient, logD

3.754

Water Solubility, LogSw

-4.03

Polar Surface Area

30.752

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D154-0455 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D154-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D154-0455?
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What is the minimum amount of D154-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D154-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D154-0455
  • 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 D154-0455 available by request