Y031-2309 Screening compound: 3-cyclohexyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

Y031-2309 Screening compound: 3-cyclohexyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
Y031-2309 Screening compound: 3-cyclohexyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2309
3-cyclohexyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

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

Y031-2309

Molecular Formula

C20H28N2O2 (C20 H28 N2 O2)

Compound Name

3-cyclohexyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

IUPAC name

3-cyclohexyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

SMILES

COc(cc1)cc2c1[nH]cc2CCNC(CCC1CCCCC1)=O

InChI

InChI=1S/C20H28N2O2/c1-24-17-8-9-19-18(13-17)16(14-22-19)11-12-21-20(23)10-7-15-5-3-2-4-6-15/h8-9,13-15,22H,2-7,10-12H2,1H3,(H,21,23)

InChI Key

KUHIVXWDPVHRGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07082303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.024

Distribution Coefficient, logD

4.024

Water Solubility, LogSw

-4.24

Polar Surface Area

41.887

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

Y031-2309 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Indole Derivatives (10091 compounds)

Selective Target Activity Profiling Library (14702 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Cyclic compounds
Therapeutical areas:
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y031-2309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2309?
Check Price and Availability of Y031-2309, 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 Y031-2309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2309
  • 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 Y031-2309 available by request