T973-0812 Screening compound: 1-{4-[5-(4-methoxyphenyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]piperidin-1-yl}ethan-1-one

T973-0812 Screening compound: 1-{4-[5-(4-methoxyphenyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]piperidin-1-yl}ethan-1-one
T973-0812 Screening compound: 1-{4-[5-(4-methoxyphenyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]piperidin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T973-0812
1-{4-[5-(4-methoxyphenyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]piperidin-1-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

T973-0812

Molecular Formula

C25H30N2O3 (C25 H30 N2 O3)

Compound Name

1-{4-[5-(4-methoxyphenyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]piperidin-1-yl}ethan-1-one

IUPAC name

1-{4-[(1R)-5-(4-methoxyphenyl)-1-methyl-1234-tetrahydroisoquinoline-2-carbonyl]piperidin-1-yl}ethan-1-one

SMILES

C[C@H](c1c(CC2)c(-c(cc3)ccc3OC)ccc1)N2C(C(CC1)CCN1C(C)=O)=O

InChI

InChI=1S/C25H30N2O3/c1-17-22-5-4-6-23(19-7-9-21(30-3)10-8-19)24(22)13-16-27(17)25(29)20-11-14-26(15-12-20)18(2)28/h4-10,17,20H,11-16H2,1-3H3/t17-/m1/s1

InChI Key

NCHXEOADXOETMM-QGZVFWFLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.52

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

3.879

Distribution Coefficient, logD

3.879

Water Solubility, LogSw

-3.99

Polar Surface Area

40.384

Acid Dissociation Constant (pKa)

23.36

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

T973-0812 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T973-0812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T973-0812?
Check Price and Availability of T973-0812, 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 T973-0812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T973-0812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T973-0812
  • 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 T973-0812 available by request