Y043-2138 Screening compound: [4a-hydroxyoctahydro-2(1H)-isoquinolinyl](1-methyl-1H-indol-2-yl)methanone

Y043-2138 Screening compound: [4a-hydroxyoctahydro-2(1H)-isoquinolinyl](1-methyl-1H-indol-2-yl)methanone
Y043-2138 Screening compound: [4a-hydroxyoctahydro-2(1H)-isoquinolinyl](1-methyl-1H-indol-2-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-2138
[4a-hydroxyoctahydro-2(1H)-isoquinolinyl](1-methyl-1H-indol-2-yl)methanone

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

Y043-2138

Molecular Formula

C19H24N2O2 (C19 H24 N2 O2)

Compound Name

[4a-hydroxyoctahydro-2(1H)-isoquinolinyl](1-methyl-1H-indol-2-yl)methanone

IUPAC name

2-(1-methyl-1H-indole-2-carbonyl)-decahydroisoquinolin-4a-ol

SMILES

Cn(c(C(N(CC1)CC(CCCC2)C12O)=O)c1)c2c1cccc2

InChI

InChI=1S/C19H24N2O2/c1-20-16-8-3-2-6-14(16)12-17(20)18(22)21-11-10-19(23)9-5-4-7-15(19)13-21/h2-3,6,8,12,15,23H,4-5,7,9-11,13H2,1H3

InChI Key

JGMGAHDUJPOZBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31751105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.943

Distribution Coefficient, logD

2.943

Water Solubility, LogSw

-3.16

Polar Surface Area

33.294

Acid Dissociation Constant (pKa)

16.32

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.63

Y043-2138 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y043-2138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-2138?
Check Price and Availability of Y043-2138, 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 Y043-2138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-2138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-2138
  • 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 Y043-2138 available by request