C125-0465 Screening compound: 6,7-dimethoxy-2-methyl-4-(4-methylpiperidine-1-carbonyl)-3-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinolin-1-one

C125-0465 Screening compound: 6,7-dimethoxy-2-methyl-4-(4-methylpiperidine-1-carbonyl)-3-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinolin-1-one
C125-0465 Screening compound: 6,7-dimethoxy-2-methyl-4-(4-methylpiperidine-1-carbonyl)-3-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C125-0465
6,7-dimethoxy-2-methyl-4-(4-methylpiperidine-1-carbonyl)-3-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinolin-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

C125-0465

Molecular Formula

C24H29N3O4 (C24 H29 N3 O4)

Compound Name

6,7-dimethoxy-2-methyl-4-(4-methylpiperidine-1-carbonyl)-3-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinolin-1-one

IUPAC name

67-dimethoxy-2-methyl-4-(4-methylpiperidine-1-carbonyl)-3-(pyridin-3-yl)-1234-tetrahydroisoquinolin-1-one

SMILES

CC(CC1)CCN1C(C(C(c1cnccc1)N1C)c(cc(c(OC)c2)OC)c2C1=O)=O

InChI

InChI=1S/C24H29N3O4/c1-15-7-10-27(11-8-15)24(29)21-17-12-19(30-3)20(31-4)13-18(17)23(28)26(2)22(21)16-6-5-9-25-14-16/h5-6,9,12-15,21-22H,7-8,10-11H2,1-4H3

InChI Key

BUDLIDZOJDMOGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.856

Distribution Coefficient, logD

1.856

Water Solubility, LogSw

-2.07

Polar Surface Area

57.115

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.80

C125-0465 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C125-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C125-0465?
Check Price and Availability of C125-0465, 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 C125-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C125-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C125-0465
  • 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 C125-0465 available by request