C326-0096 Screening compound: 9-methyl-10-{3-[(4-phenylpiperazino)carbonyl]phenyl}-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C326-0096 Screening compound: 9-methyl-10-{3-[(4-phenylpiperazino)carbonyl]phenyl}-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C326-0096 Screening compound: 9-methyl-10-{3-[(4-phenylpiperazino)carbonyl]phenyl}-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C326-0096
9-methyl-10-{3-[(4-phenylpiperazino)carbonyl]phenyl}-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-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

C326-0096

Molecular Formula

C28H28N4O3 (C28 H28 N4 O3)

Compound Name

9-methyl-10-{3-[(4-phenylpiperazino)carbonyl]phenyl}-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

IUPAC name

9-methyl-10-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one

SMILES

CC(CC1N2)(N(c3cc(C(N(CC4)CCN4c4ccccc4)=O)ccc3)C2=O)Oc2c1cccc2

InChI

InChI=1S/C28H28N4O3/c1-28-19-24(23-12-5-6-13-25(23)35-28)29-27(34)32(28)22-11-7-8-20(18-22)26(33)31-16-14-30(15-17-31)21-9-3-2-4-10-21/h2-13,18,24H,14-17,19H2,1H3,(H,29,34)

InChI Key

NICKNBVVZDCGBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.959

Distribution Coefficient, logD

3.959

Water Solubility, LogSw

-4.13

Polar Surface Area

52.985

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

C326-0096 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Spiro Library (21655 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 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)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C326-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C326-0096?
Check Price and Availability of C326-0096, 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 C326-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C326-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C326-0096
  • 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 C326-0096 available by request