T973-0857 Screening compound: (1-ethyl-1H-pyrazol-5-yl)[(1R)-5-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]methanone

T973-0857 Screening compound: (1-ethyl-1H-pyrazol-5-yl)[(1R)-5-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]methanone
T973-0857 Screening compound: (1-ethyl-1H-pyrazol-5-yl)[(1R)-5-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T973-0857
(1-ethyl-1H-pyrazol-5-yl)[(1R)-5-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]methanone

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

T973-0857

Molecular Formula

C23H25N3O2 (C23 H25 N3 O2)

Compound Name

(1-ethyl-1H-pyrazol-5-yl)[(1R)-5-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]methanone

IUPAC name

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

SMILES

CCn1nccc1C(N(CC1)C(C)c2c1c(-c(cc1)ccc1OC)ccc2)=O

InChI

InChI=1S/C23H25N3O2/c1-4-26-22(12-14-24-26)23(27)25-15-13-21-19(16(25)2)6-5-7-20(21)17-8-10-18(28-3)11-9-17/h5-12,14,16H,4,13,15H2,1-3H3/t16-/m0/s1

InChI Key

SEPTZUHRNCZRAS-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.069

Distribution Coefficient, logD

4.069

Water Solubility, LogSw

-4.15

Polar Surface Area

36.085

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.43

T973-0857 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 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
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with T973-0857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T973-0857?
Check Price and Availability of T973-0857, 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 T973-0857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T973-0857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T973-0857
  • 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 T973-0857 available by request