C115-0372 Screening compound: 3-(3,4-dimethoxyphenyl)-4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one

C115-0372 Screening compound: 3-(3,4-dimethoxyphenyl)-4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one
C115-0372 Screening compound: 3-(3,4-dimethoxyphenyl)-4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C115-0372
3-(3,4-dimethoxyphenyl)-4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-6,7-dimethoxy-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

C115-0372

Molecular Formula

C28H34N2O8 (C28 H34 N2 O8)

Compound Name

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

IUPAC name

3-(34-dimethoxyphenyl)-4-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-67-dimethoxy-2-methyl-1234-tetrahydroisoquinolin-1-one

SMILES

CN(C(C(C(N(CC1)CCC11OCCO1)=O)c(cc1OC)c2cc1OC)c(cc1)cc(OC)c1OC)C2=O

InChI

InChI=1S/C28H34N2O8/c1-29-25(17-6-7-20(33-2)21(14-17)34-3)24(18-15-22(35-4)23(36-5)16-19(18)26(29)31)27(32)30-10-8-28(9-11-30)37-12-13-38-28/h6-7,14-16,24-25H,8-13H2,1-5H3

InChI Key

RPVDCEXCNPZTKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.415

Distribution Coefficient, logD

1.415

Water Solubility, LogSw

-2.16

Polar Surface Area

77.295

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

C115-0372 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C115-0372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C115-0372?
Check Price and Availability of C115-0372, 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 C115-0372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C115-0372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C115-0372
  • 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 C115-0372 available by request