Y031-8691 Screening compound: ethyl 1-(2,6-dimethoxybenzoyl)-4-piperidinecarboxylate

Y031-8691 Screening compound: ethyl 1-(2,6-dimethoxybenzoyl)-4-piperidinecarboxylate
Y031-8691 Screening compound: ethyl 1-(2,6-dimethoxybenzoyl)-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-8691
ethyl 1-(2,6-dimethoxybenzoyl)-4-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

Y031-8691

Molecular Formula

C17H23NO5 (C17 H23 NO5)

Compound Name

ethyl 1-(2,6-dimethoxybenzoyl)-4-piperidinecarboxylate

IUPAC name

ethyl 1-(26-dimethoxybenzoyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c(c(OC)ccc1)c1OC)=O)=O

InChI

InChI=1S/C17H23NO5/c1-4-23-17(20)12-8-10-18(11-9-12)16(19)15-13(21-2)6-5-7-14(15)22-3/h5-7,12H,4,8-11H2,1-3H3

InChI Key

NIINABMFAZOFFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01213154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.578

Distribution Coefficient, logD

1.578

Water Solubility, LogSw

-1.93

Polar Surface Area

52.901

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

Y031-8691 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y031-8691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-8691?
Check Price and Availability of Y031-8691, 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 Y031-8691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-8691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-8691
  • 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 Y031-8691 available by request