Y031-2776 Screening compound: methyl 1-[2-(propylsulfanyl)benzoyl]piperidine-4-carboxylate

Y031-2776 Screening compound: methyl 1-[2-(propylsulfanyl)benzoyl]piperidine-4-carboxylate
Y031-2776 Screening compound: methyl 1-[2-(propylsulfanyl)benzoyl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2776
methyl 1-[2-(propylsulfanyl)benzoyl]piperidine-4-carboxylate

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

Y031-2776

Molecular Formula

C17H23NO3S (C17 H23 NO3 S)

Compound Name

methyl 1-[2-(propylsulfanyl)benzoyl]piperidine-4-carboxylate

IUPAC name

methyl 1-[2-(propylsulfanyl)benzoyl]piperidine-4-carboxylate

SMILES

CCCSc(cccc1)c1C(N(CC1)CCC1C(OC)=O)=O

InChI

InChI=1S/C17H23NO3S/c1-3-12-22-15-7-5-4-6-14(15)16(19)18-10-8-13(9-11-18)17(20)21-2/h4-7,13H,3,8-12H2,1-2H3

InChI Key

CTHZWXDNIGLVAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07134567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.799

Distribution Coefficient, logD

2.799

Water Solubility, LogSw

-3.22

Polar Surface Area

38.061

Acid Dissociation Constant (pKa)

22.66

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

Y031-2776 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y031-2776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2776?
Check Price and Availability of Y031-2776, 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 Y031-2776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2776
  • 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 Y031-2776 available by request