Y040-1445 Screening compound: 8-methoxy-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethoxy]-6H-benzo[c]chromen-6-one

Y040-1445 Screening compound: 8-methoxy-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethoxy]-6H-benzo[c]chromen-6-one
Y040-1445 Screening compound: 8-methoxy-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethoxy]-6H-benzo[c]chromen-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-1445
8-methoxy-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethoxy]-6H-benzo[c]chromen-6-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

Y040-1445

Molecular Formula

C25H21NO5 (C25 H21 NO5)

Compound Name

8-methoxy-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethoxy]-6H-benzo[c]chromen-6-one

IUPAC name

8-methoxy-3-[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)ethoxy]-6H-benzo[c]chromen-6-one

SMILES

COc(cc1)cc2c1-c(ccc(OCC(N(CC1)Cc3c1cccc3)=O)c1)c1OC2=O

InChI

InChI=1S/C25H21NO5/c1-29-18-6-8-20-21-9-7-19(13-23(21)31-25(28)22(20)12-18)30-15-24(27)26-11-10-16-4-2-3-5-17(16)14-26/h2-9,12-13H,10-11,14-15H2,1H3

InChI Key

OPBXSGXOIUKMES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04214979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.804

Distribution Coefficient, logD

3.804

Water Solubility, LogSw

-5.00

Polar Surface Area

51.714

Acid Dissociation Constant (pKa)

24.39

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y040-1445 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

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

CNS targets activity set (6557 compounds)

Human Phosphatases Annotated Library (206 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with Y040-1445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-1445?
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What is the minimum amount of Y040-1445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-1445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-1445
  • 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 Y040-1445 available by request