T973-0841 Screening compound: 1-[(1R)-5-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]-2-morpholino-1-ethanone

T973-0841 Screening compound: 1-[(1R)-5-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]-2-morpholino-1-ethanone
T973-0841 Screening compound: 1-[(1R)-5-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]-2-morpholino-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T973-0841
1-[(1R)-5-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]-2-morpholino-1-ethanone

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

T973-0841

Molecular Formula

C23H28N2O3 (C23 H28 N2 O3)

Compound Name

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

IUPAC name

n/a

SMILES

CC(c1c(CC2)c(-c(cc3)ccc3OC)ccc1)N2C(CN1CCOCC1)=O

InChI

InChI=1S/C23H28N2O3/c1-17-20-4-3-5-21(18-6-8-19(27-2)9-7-18)22(20)10-11-25(17)23(26)16-24-12-14-28-15-13-24/h3-9,17H,10-16H2,1-2H3/t17-/m0/s1

InChI Key

PDBBONGGBRWDNR-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.181

Distribution Coefficient, logD

3.181

Water Solubility, LogSw

-3.47

Polar Surface Area

34.381

Acid Dissociation Constant (pKa)

24.02

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

T973-0841 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 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 T973-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T973-0841?
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What is the minimum amount of T973-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T973-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T973-0841
  • 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 T973-0841 available by request