P099-0411 Screening compound: N-[1-(4-ethylphenyl)ethyl]-2-[1-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]acetamide

P099-0411 Screening compound: N-[1-(4-ethylphenyl)ethyl]-2-[1-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]acetamide
P099-0411 Screening compound: N-[1-(4-ethylphenyl)ethyl]-2-[1-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P099-0411
N-[1-(4-ethylphenyl)ethyl]-2-[1-(pyrrolidine-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

P099-0411

Molecular Formula

C26H33N3O2 (C26 H33 N3 O2)

Compound Name

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

IUPAC name

N-[1-(4-ethylphenyl)ethyl]-2-[1-(pyrrolidine-1-carbonyl)-1234-tetrahydroisoquinolin-2-yl]acetamide

SMILES

CCc1ccc(C(C)NC(CN(CC2)C(C(N3CCCC3)=O)c3c2cccc3)=O)cc1

InChI

InChI=1S/C26H33N3O2/c1-3-20-10-12-21(13-11-20)19(2)27-24(30)18-29-17-14-22-8-4-5-9-23(22)25(29)26(31)28-15-6-7-16-28/h4-5,8-13,19,25H,3,6-7,14-18H2,1-2H3,(H,27,30)

InChI Key

YDKOSFYREXZQGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27564600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.049

Distribution Coefficient, logD

4.048

Water Solubility, LogSw

-3.86

Polar Surface Area

44.032

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.20

References: we are preparing a list of scientific research reports with P099-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P099-0411?
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What is the minimum amount of P099-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P099-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P099-0411
  • 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 P099-0411 available by request