P099-0558 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-[1-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]acetamide

P099-0558 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-[1-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]acetamide
P099-0558 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-[1-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P099-0558
N-(5-chloro-2-methoxyphenyl)-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

P099-0558

Molecular Formula

C24H28ClN3O3 (C24 H28 ClN3 O3)

Compound Name

N-(5-chloro-2-methoxyphenyl)-2-[1-(piperidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]acetamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-2-[1-(piperidine-1-carbonyl)-1234-tetrahydroisoquinolin-2-yl]acetamide

SMILES

COc(ccc(Cl)c1)c1NC(CN(CC1)C(C(N2CCCCC2)=O)c2c1cccc2)=O

InChI

InChI=1S/C24H28ClN3O3/c1-31-21-10-9-18(25)15-20(21)26-22(29)16-28-14-11-17-7-3-4-8-19(17)23(28)24(30)27-12-5-2-6-13-27/h3-4,7-10,15,23H,2,5-6,11-14,16H2,1H3,(H,26,29)/t23-/m1/s1

InChI Key

ZKCQRLSUIHEEBV-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD27564632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.778

Distribution Coefficient, logD

3.519

Water Solubility, LogSw

-4.25

Polar Surface Area

50.113

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

P099-0558 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P099-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P099-0558?
Check Price and Availability of P099-0558, 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 P099-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P099-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P099-0558
  • 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 P099-0558 available by request