C115-0510 Screening compound: 4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one

C115-0510 Screening compound: 4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one
C115-0510 Screening compound: 4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C115-0510
4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-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

C115-0510

Molecular Formula

C27H32N2O7 (C27 H32 N2 O7)

Compound Name

4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one

IUPAC name

4-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-67-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1234-tetrahydroisoquinolin-1-one

SMILES

CN(C(C(C(N(CC1)CCC11OCCO1)=O)c(cc1OC)c2cc1OC)c(cc1)ccc1OC)C2=O

InChI

InChI=1S/C27H32N2O7/c1-28-24(17-5-7-18(32-2)8-6-17)23(19-15-21(33-3)22(34-4)16-20(19)25(28)30)26(31)29-11-9-27(10-12-29)35-13-14-36-27/h5-8,15-16,23-24H,9-14H2,1-4H3

InChI Key

GVURKEOYKFTSNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.772

Distribution Coefficient, logD

1.772

Water Solubility, LogSw

-2.47

Polar Surface Area

69.578

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.10

C115-0510 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C115-0510 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C115-0510?
Check Price and Availability of C115-0510, 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 C115-0510 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C115-0510
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C115-0510
  • 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 C115-0510 available by request