Y031-3563 Screening compound: ethyl 1-{2-[(4-chlorobenzyl)sulfanyl]acetyl}-3-piperidinecarboxylate

Y031-3563 Screening compound: ethyl 1-{2-[(4-chlorobenzyl)sulfanyl]acetyl}-3-piperidinecarboxylate
Y031-3563 Screening compound: ethyl 1-{2-[(4-chlorobenzyl)sulfanyl]acetyl}-3-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3563
ethyl 1-{2-[(4-chlorobenzyl)sulfanyl]acetyl}-3-piperidinecarboxylate

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

Y031-3563

Molecular Formula

C17H22ClNO3S (C17 H22 ClNO3 S)

Compound Name

ethyl 1-{2-[(4-chlorobenzyl)sulfanyl]acetyl}-3-piperidinecarboxylate

IUPAC name

ethyl 1-(2-{[(4-chlorophenyl)methyl]sulfanyl}acetyl)piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(CSCc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C17H22ClNO3S/c1-2-22-17(21)14-4-3-9-19(10-14)16(20)12-23-11-13-5-7-15(18)8-6-13/h5-8,14H,2-4,9-12H2,1H3/t14-/m0/s1

InChI Key

SNTTWFIFLYKMNE-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD08596329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.394

Distribution Coefficient, logD

3.394

Water Solubility, LogSw

-3.68

Polar Surface Area

37.046

Acid Dissociation Constant (pKa)

22.59

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.94

Y031-3563 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y031-3563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3563?
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What is the minimum amount of Y031-3563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3563
  • 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 Y031-3563 available by request