Y041-6396 Screening compound: methyl 2-(1-{2-[5-(4-methoxyphenyl)-3-methyl-1H-pyrazol-4-yl]acetyl}piperidin-4-yl)acetate

Y041-6396 Screening compound: methyl 2-(1-{2-[5-(4-methoxyphenyl)-3-methyl-1H-pyrazol-4-yl]acetyl}piperidin-4-yl)acetate
Y041-6396 Screening compound: methyl 2-(1-{2-[5-(4-methoxyphenyl)-3-methyl-1H-pyrazol-4-yl]acetyl}piperidin-4-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-6396
methyl 2-(1-{2-[5-(4-methoxyphenyl)-3-methyl-1H-pyrazol-4-yl]acetyl}piperidin-4-yl)acetate

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

Y041-6396

Molecular Formula

C21H27N3O4 (C21 H27 N3 O4)

Compound Name

methyl 2-(1-{2-[5-(4-methoxyphenyl)-3-methyl-1H-pyrazol-4-yl]acetyl}piperidin-4-yl)acetate

IUPAC name

methyl 2-(1-{2-[5-(4-methoxyphenyl)-3-methyl-1H-pyrazol-4-yl]acetyl}piperidin-4-yl)acetate

SMILES

Cc1n[nH]c(-c(cc2)ccc2OC)c1CC(N1CCC(CC(OC)=O)CC1)=O

InChI

InChI=1S/C21H27N3O4/c1-14-18(21(23-22-14)16-4-6-17(27-2)7-5-16)13-19(25)24-10-8-15(9-11-24)12-20(26)28-3/h4-7,15H,8-13H2,1-3H3,(H,22,23)

InChI Key

YLXXPTXLDODYLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27963227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.709

Distribution Coefficient, logD

2.709

Water Solubility, LogSw

-3.00

Polar Surface Area

68.319

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.62

Y041-6396 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y041-6396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-6396?
Check Price and Availability of Y041-6396, 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 Y041-6396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-6396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-6396
  • 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 Y041-6396 available by request