T973-0458 Screening compound: 2-(3-fluorobenzoyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline

T973-0458 Screening compound: 2-(3-fluorobenzoyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline
T973-0458 Screening compound: 2-(3-fluorobenzoyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound T973-0458
2-(3-fluorobenzoyl)-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

T973-0458

Molecular Formula

C17H16FNO (C17 H16 FNO)

Compound Name

2-(3-fluorobenzoyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline

IUPAC name

(1R)-2-(3-fluorobenzoyl)-1-methyl-1234-tetrahydroisoquinoline

SMILES

CC(c1c(CC2)cccc1)N2C(c1cccc(F)c1)=O

InChI

InChI=1S/C17H16FNO/c1-12-16-8-3-2-5-13(16)9-10-19(12)17(20)14-6-4-7-15(18)11-14/h2-8,11-12H,9-10H2,1H3/t12-/m0/s1

InChI Key

KDWKSWTYLOLFOX-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.625

Distribution Coefficient, logD

3.625

Water Solubility, LogSw

-3.73

Polar Surface Area

15.724

Acid Dissociation Constant (pKa)

22.51

Base Dissociation Constant (pKb)

-3.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

T973-0458 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with T973-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T973-0458?
Check Price and Availability of T973-0458, 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 T973-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T973-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T973-0458
  • 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 T973-0458 available by request