T973-0853 Screening compound: 5-(4-methoxyphenyl)-1-methyl-2-(1-methyl-1H-pyrazole-5-carbonyl)-1,2,3,4-tetrahydroisoquinoline

T973-0853 Screening compound: 5-(4-methoxyphenyl)-1-methyl-2-(1-methyl-1H-pyrazole-5-carbonyl)-1,2,3,4-tetrahydroisoquinoline
T973-0853 Screening compound: 5-(4-methoxyphenyl)-1-methyl-2-(1-methyl-1H-pyrazole-5-carbonyl)-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound T973-0853
5-(4-methoxyphenyl)-1-methyl-2-(1-methyl-1H-pyrazole-5-carbonyl)-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

T973-0853

Molecular Formula

C22H23N3O2 (C22 H23 N3 O2)

Compound Name

5-(4-methoxyphenyl)-1-methyl-2-(1-methyl-1H-pyrazole-5-carbonyl)-1,2,3,4-tetrahydroisoquinoline

IUPAC name

(1R)-5-(4-methoxyphenyl)-1-methyl-2-(1-methyl-1H-pyrazole-5-carbonyl)-1234-tetrahydroisoquinoline

SMILES

CC(c1c(CC2)c(-c(cc3)ccc3OC)ccc1)N2C(c1ccnn1C)=O

InChI

InChI=1S/C22H23N3O2/c1-15-18-5-4-6-19(16-7-9-17(27-3)10-8-16)20(18)12-14-25(15)22(26)21-11-13-23-24(21)2/h4-11,13,15H,12,14H2,1-3H3/t15-/m0/s1

InChI Key

FSBBSYUJURQRFC-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.681

Distribution Coefficient, logD

3.681

Water Solubility, LogSw

-3.99

Polar Surface Area

36.646

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

T973-0853 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

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

DGK Inhibitors Library (10558 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T973-0853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T973-0853?
Check Price and Availability of T973-0853, 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 T973-0853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T973-0853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T973-0853
  • 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 T973-0853 available by request