T973-0837 Screening compound: 2-cyclopentanecarbonyl-5-(4-methoxyphenyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline

T973-0837 Screening compound: 2-cyclopentanecarbonyl-5-(4-methoxyphenyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline
T973-0837 Screening compound: 2-cyclopentanecarbonyl-5-(4-methoxyphenyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound T973-0837
2-cyclopentanecarbonyl-5-(4-methoxyphenyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline

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

T973-0837

Molecular Formula

C23H27NO2 (C23 H27 NO2)

Compound Name

2-cyclopentanecarbonyl-5-(4-methoxyphenyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline

IUPAC name

(1R)-2-cyclopentanecarbonyl-5-(4-methoxyphenyl)-1-methyl-1234-tetrahydroisoquinoline

SMILES

C[C@H](c1c(CC2)c(-c(cc3)ccc3OC)ccc1)N2C(C1CCCC1)=O

InChI

InChI=1S/C23H27NO2/c1-16-20-8-5-9-21(17-10-12-19(26-2)13-11-17)22(20)14-15-24(16)23(25)18-6-3-4-7-18/h5,8-13,16,18H,3-4,6-7,14-15H2,1-2H3/t16-/m1/s1

InChI Key

KLMCQNBYCPZLKJ-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.334

Distribution Coefficient, logD

5.334

Water Solubility, LogSw

-5.13

Polar Surface Area

23.554

Acid Dissociation Constant (pKa)

22.61

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

T973-0837 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

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

GPCR Targeted Library (31838 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
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with T973-0837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T973-0837?
Check Price and Availability of T973-0837, 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 T973-0837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T973-0837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T973-0837
  • 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 T973-0837 available by request