T973-0501 Screening compound: 2-cyclopentyl-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

T973-0501 Screening compound: 2-cyclopentyl-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
T973-0501 Screening compound: 2-cyclopentyl-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T973-0501
2-cyclopentyl-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-2-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

T973-0501

Molecular Formula

C17H23NO (C17 H23 NO)

Compound Name

2-cyclopentyl-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

IUPAC name

2-cyclopentyl-1-[(1R)-1-methyl-1234-tetrahydroisoquinolin-2-yl]ethan-1-one

SMILES

C[C@H](c1c(CC2)cccc1)N2C(CC1CCCC1)=O

InChI

InChI=1S/C17H23NO/c1-13-16-9-5-4-8-15(16)10-11-18(13)17(19)12-14-6-2-3-7-14/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3/t13-/m1/s1

InChI Key

MECJIMPCWABSOX-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.800

Distribution Coefficient, logD

3.800

Water Solubility, LogSw

-3.93

Polar Surface Area

15.755

Acid Dissociation Constant (pKa)

23.97

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

T973-0501 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with T973-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T973-0501?
Check Price and Availability of T973-0501, 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 T973-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T973-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T973-0501
  • 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 T973-0501 available by request