C326-0392 Screening compound: ethyl 1-[3-(4,9-dimethyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzoyl]-4-piperidinecarboxylate

C326-0392 Screening compound: ethyl 1-[3-(4,9-dimethyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzoyl]-4-piperidinecarboxylate
C326-0392 Screening compound: ethyl 1-[3-(4,9-dimethyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzoyl]-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C326-0392
ethyl 1-[3-(4,9-dimethyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzoyl]-4-piperidinecarboxylate

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

C326-0392

Molecular Formula

C27H31N3O5 (C27 H31 N3 O5)

Compound Name

ethyl 1-[3-(4,9-dimethyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzoyl]-4-piperidinecarboxylate

IUPAC name

ethyl 1-(3-{49-dimethyl-11-oxo-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-10-yl}benzoyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c1cccc(N(C(C)(CC2N3)Oc4c2cc(C)cc4)C3=O)c1)=O)=O

InChI

InChI=1S/C27H31N3O5/c1-4-34-25(32)18-10-12-29(13-11-18)24(31)19-6-5-7-20(15-19)30-26(33)28-22-16-27(30,3)35-23-9-8-17(2)14-21(22)23/h5-9,14-15,18,22H,4,10-13,16H2,1-3H3,(H,28,33)

InChI Key

GCNAGIQDRRDKHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.636

Distribution Coefficient, logD

3.636

Water Solubility, LogSw

-3.75

Polar Surface Area

70.479

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.40

C326-0392 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C326-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C326-0392?
Check Price and Availability of C326-0392, 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 C326-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C326-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C326-0392
  • 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 C326-0392 available by request