D185-0081 Screening compound: 2-[5-methyl-2-(propan-2-yl)phenoxy]-1-{2-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}ethan-1-one

D185-0081 Screening compound: 2-[5-methyl-2-(propan-2-yl)phenoxy]-1-{2-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}ethan-1-one
D185-0081 Screening compound: 2-[5-methyl-2-(propan-2-yl)phenoxy]-1-{2-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D185-0081
2-[5-methyl-2-(propan-2-yl)phenoxy]-1-{2-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}ethan-1-one

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

D185-0081

Molecular Formula

C24H38N2O2 (C24 H38 N2 O2)

Compound Name

2-[5-methyl-2-(propan-2-yl)phenoxy]-1-{2-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}ethan-1-one

IUPAC name

2-[5-methyl-2-(propan-2-yl)phenoxy]-1-{2-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}ethan-1-one

SMILES

CC(C)c(ccc(C)c1)c1OCC(N1C(CCN2CCCCC2)CCCC1)=O

InChI

InChI=1S/C24H38N2O2/c1-19(2)22-11-10-20(3)17-23(22)28-18-24(27)26-15-8-5-9-21(26)12-16-25-13-6-4-7-14-25/h10-11,17,19,21H,4-9,12-16,18H2,1-3H3/t21-/m1/s1

InChI Key

CUOZTHFOYJWJCH-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD12917176

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

386.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.920

Distribution Coefficient, logD

3.076

Water Solubility, LogSw

-4.50

Polar Surface Area

27.302

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

9.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.80

D185-0081 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D185-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D185-0081?
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What is the minimum amount of D185-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D185-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D185-0081
  • 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 D185-0081 available by request