P099-0605 Screening compound: N-[2-(2-methylpiperidin-1-yl)ethyl]-2-[1-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]acetamide

P099-0605 Screening compound: N-[2-(2-methylpiperidin-1-yl)ethyl]-2-[1-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]acetamide
P099-0605 Screening compound: N-[2-(2-methylpiperidin-1-yl)ethyl]-2-[1-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P099-0605
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-[1-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]acetamide

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

P099-0605

Molecular Formula

C25H38N4O2 (C25 H38 N4 O2)

Compound Name

N-[2-(2-methylpiperidin-1-yl)ethyl]-2-[1-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]acetamide

IUPAC name

N-[2-(2-methylpiperidin-1-yl)ethyl]-2-[1-(piperidine-1-carbonyl)-1234-tetrahydroisoquinolin-2-yl]acetamide

SMILES

CC1N(CCNC(CN(CC2)C(C(N3CCCCC3)=O)c3c2cccc3)=O)CCCC1

InChI

InChI=1S/C25H38N4O2/c1-20-9-5-8-14-27(20)18-13-26-23(30)19-29-17-12-21-10-3-4-11-22(21)24(29)25(31)28-15-6-2-7-16-28/h3-4,10-11,20,24H,2,5-9,12-19H2,1H3,(H,26,30)

InChI Key

KUKJTSMSPFATRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27564637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.182

Distribution Coefficient, logD

0.424

Water Solubility, LogSw

-2.62

Polar Surface Area

47.777

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

9.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

68.00

P099-0605 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 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 P099-0605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P099-0605?
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What is the minimum amount of P099-0605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P099-0605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P099-0605
  • 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 P099-0605 available by request