T973-0846 Screening compound: 1-[(1R)-5-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]-3-morpholino-1-propanone

T973-0846 Screening compound: 1-[(1R)-5-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]-3-morpholino-1-propanone
T973-0846 Screening compound: 1-[(1R)-5-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]-3-morpholino-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T973-0846
1-[(1R)-5-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]-3-morpholino-1-propanone

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

T973-0846

Molecular Formula

C24H30N2O3 (C24 H30 N2 O3)

Compound Name

1-[(1R)-5-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]-3-morpholino-1-propanone

IUPAC name

1-[(1R)-5-(4-methoxyphenyl)-1-methyl-1234-tetrahydroisoquinolin-2-yl]-3-(morpholin-4-yl)propan-1-one

SMILES

CC(c1c(CC2)c(-c(cc3)ccc3OC)ccc1)N2C(CCN1CCOCC1)=O

InChI

InChI=1S/C24H30N2O3/c1-18-21-4-3-5-22(19-6-8-20(28-2)9-7-19)23(21)10-13-26(18)24(27)11-12-25-14-16-29-17-15-25/h3-9,18H,10-17H2,1-2H3/t18-/m0/s1

InChI Key

GLFMWWPWZRRESE-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.440

Distribution Coefficient, logD

3.303

Water Solubility, LogSw

-3.68

Polar Surface Area

34.360

Acid Dissociation Constant (pKa)

23.87

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.83

T973-0846 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)

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 T973-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T973-0846?
Check Price and Availability of T973-0846, 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 T973-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T973-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T973-0846
  • 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 T973-0846 available by request