Y040-9912 Screening compound: 2-(1H-indol-1-yl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

Y040-9912 Screening compound: 2-(1H-indol-1-yl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
Y040-9912 Screening compound: 2-(1H-indol-1-yl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9912
2-(1H-indol-1-yl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-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

Y040-9912

Molecular Formula

C19H18N2O (C19 H18 N2 O)

Compound Name

2-(1H-indol-1-yl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

IUPAC name

2-(1H-indol-1-yl)-1-(1234-tetrahydroisoquinolin-2-yl)ethan-1-one

SMILES

O=C(Cn(cc1)c2c1cccc2)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C19H18N2O/c22-19(14-20-11-10-16-6-3-4-8-18(16)20)21-12-9-15-5-1-2-7-17(15)13-21/h1-8,10-11H,9,12-14H2

InChI Key

JPUNZTHDPUIMHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12214462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.542

Distribution Coefficient, logD

3.542

Water Solubility, LogSw

-3.20

Polar Surface Area

18.132

Acid Dissociation Constant (pKa)

22.25

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

Y040-9912 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y040-9912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9912?
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What is the minimum amount of Y040-9912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9912
  • 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 Y040-9912 available by request