T973-0526 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

T973-0526 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
T973-0526 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T973-0526
2-(3,5-dimethyl-1,2-oxazol-4-yl)-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

T973-0526

Molecular Formula

C17H20N2O2 (C17 H20 N2 O2)

Compound Name

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

IUPAC name

2-(35-dimethyl-12-oxazol-4-yl)-1-[(1R)-1-methyl-1234-tetrahydroisoquinolin-2-yl]ethan-1-one

SMILES

C[C@H](c1c(CC2)cccc1)N2C(Cc1c(C)onc1C)=O

InChI

InChI=1S/C17H20N2O2/c1-11-16(13(3)21-18-11)10-17(20)19-9-8-14-6-4-5-7-15(14)12(19)2/h4-7,12H,8-10H2,1-3H3/t12-/m1/s1

InChI Key

IDFWDFKMCOOASQ-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.778

Distribution Coefficient, logD

2.778

Water Solubility, LogSw

-3.04

Polar Surface Area

37.235

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

2.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

T973-0526 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Antiparasite Library (23996 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
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with T973-0526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T973-0526?
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What is the minimum amount of T973-0526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T973-0526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T973-0526
  • 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 T973-0526 available by request