Y030-4834 Screening compound: 1-[2-methoxy-4-(methylsulfanyl)benzoyl]-3,5-dimethylpiperidine

Y030-4834 Screening compound: 1-[2-methoxy-4-(methylsulfanyl)benzoyl]-3,5-dimethylpiperidine
Y030-4834 Screening compound: 1-[2-methoxy-4-(methylsulfanyl)benzoyl]-3,5-dimethylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-4834
1-[2-methoxy-4-(methylsulfanyl)benzoyl]-3,5-dimethylpiperidine

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

Y030-4834

Molecular Formula

C16H23NO2S (C16 H23 NO2 S)

Compound Name

1-[2-methoxy-4-(methylsulfanyl)benzoyl]-3,5-dimethylpiperidine

IUPAC name

1-[2-methoxy-4-(methylsulfanyl)benzoyl]-35-dimethylpiperidine

SMILES

CC(CC(C)C1)CN1C(c(ccc(SC)c1)c1OC)=O

InChI

InChI=1S/C16H23NO2S/c1-11-7-12(2)10-17(9-11)16(18)14-6-5-13(20-4)8-15(14)19-3/h5-6,8,11-12H,7,9-10H2,1-4H3

InChI Key

HKTNTGVEXFUDOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02736055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.652

Distribution Coefficient, logD

3.652

Water Solubility, LogSw

-3.90

Polar Surface Area

24.384

Acid Dissociation Constant (pKa)

25.22

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.30

Y030-4834 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y030-4834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-4834?
Check Price and Availability of Y030-4834, 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 Y030-4834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-4834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-4834
  • 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 Y030-4834 available by request