C326-0416 Screening compound: 4-bromo-9-methyl-10-[3-(piperidinocarbonyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C326-0416 Screening compound: 4-bromo-9-methyl-10-[3-(piperidinocarbonyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C326-0416 Screening compound: 4-bromo-9-methyl-10-[3-(piperidinocarbonyl)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 C326-0416
4-bromo-9-methyl-10-[3-(piperidinocarbonyl)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

C326-0416

Molecular Formula

C23H24BrN3O3 (C23 H24 BrN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1N2)(N(c3cc(C(N4CCCCC4)=O)ccc3)C2=O)Oc(cc2)c1cc2Br

InChI

InChI=1S/C23H24BrN3O3/c1-23-14-19(18-13-16(24)8-9-20(18)30-23)25-22(29)27(23)17-7-5-6-15(12-17)21(28)26-10-3-2-4-11-26/h5-9,12-13,19H,2-4,10-11,14H2,1H3,(H,25,29)

InChI Key

OEHUVSHTWCZOIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.107

Distribution Coefficient, logD

4.107

Water Solubility, LogSw

-4.32

Polar Surface Area

49.725

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.10

C326-0416 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Purinergic Library (3321 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C326-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C326-0416?
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What is the minimum amount of C326-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C326-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C326-0416
  • 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 C326-0416 available by request