P099-0770 Screening compound: N-[(2-ethoxyphenyl)methyl]-2-[1-(4-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]acetamide

P099-0770 Screening compound: N-[(2-ethoxyphenyl)methyl]-2-[1-(4-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]acetamide
P099-0770 Screening compound: N-[(2-ethoxyphenyl)methyl]-2-[1-(4-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P099-0770
N-[(2-ethoxyphenyl)methyl]-2-[1-(4-methylpiperidine-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

P099-0770

Molecular Formula

C27H35N3O3 (C27 H35 N3 O3)

Compound Name

N-[(2-ethoxyphenyl)methyl]-2-[1-(4-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]acetamide

IUPAC name

N-[(2-ethoxyphenyl)methyl]-2-[1-(4-methylpiperidine-1-carbonyl)-1234-tetrahydroisoquinolin-2-yl]acetamide

SMILES

CCOc1c(CNC(CN(CC2)C(C(N3CCC(C)CC3)=O)c3c2cccc3)=O)cccc1

InChI

InChI=1S/C27H35N3O3/c1-3-33-24-11-7-5-9-22(24)18-28-25(31)19-30-17-14-21-8-4-6-10-23(21)26(30)27(32)29-15-12-20(2)13-16-29/h4-11,20,26H,3,12-19H2,1-2H3,(H,28,31)/t26-/m1/s1

InChI Key

TUTZNOODMANQKE-AREMUKBSSA-N

MDL Number (MFCD)

MFCD27564687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.043

Distribution Coefficient, logD

4.043

Water Solubility, LogSw

-3.97

Polar Surface Area

51.713

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

P099-0770 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with P099-0770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P099-0770?
Check Price and Availability of P099-0770, 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 P099-0770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P099-0770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P099-0770
  • 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 P099-0770 available by request