C066-0811 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2,3-bis(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C066-0811 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2,3-bis(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C066-0811 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2,3-bis(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0811
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2,3-bis(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

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

C066-0811

Molecular Formula

C34H41N3O4 (C34 H41 N3 O4)

Compound Name

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2,3-bis(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

N-[3-(35-dimethylpiperidin-1-yl)propyl]-23-bis(4-methoxyphenyl)-1-oxo-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

CC1CN(CCCNC(C(C(c(cc2)ccc2OC)N2c(cc3)ccc3OC)c(cccc3)c3C2=O)=O)CC(C)C1

InChI

InChI=1S/C34H41N3O4/c1-23-20-24(2)22-36(21-23)19-7-18-35-33(38)31-29-8-5-6-9-30(29)34(39)37(26-12-16-28(41-4)17-13-26)32(31)25-10-14-27(40-3)15-11-25/h5-6,8-17,23-24,31-32H,7,18-22H2,1-4H3,(H,35,38)

InChI Key

ZAACMHXAXWPKNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.192

Distribution Coefficient, logD

2.587

Water Solubility, LogSw

-4.98

Polar Surface Area

58.231

Acid Dissociation Constant (pKa)

12.21

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

41.20

C066-0811 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C066-0811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0811?
Check Price and Availability of C066-0811, 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 C066-0811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0811
  • 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 C066-0811 available by request