C326-0402 Screening compound: N~1~-(4-chlorobenzyl)-3-(4,9-dimethyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzamide

C326-0402 Screening compound: N~1~-(4-chlorobenzyl)-3-(4,9-dimethyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzamide
C326-0402 Screening compound: N~1~-(4-chlorobenzyl)-3-(4,9-dimethyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C326-0402
N~1~-(4-chlorobenzyl)-3-(4,9-dimethyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzamide

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

C326-0402

Molecular Formula

C26H24ClN3O3 (C26 H24 ClN3 O3)

Compound Name

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

IUPAC name

N-[(4-chlorophenyl)methyl]-3-{49-dimethyl-11-oxo-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-10-yl}benzamide

SMILES

CC(CC1N2)(N(c3cccc(C(NCc(cc4)ccc4Cl)=O)c3)C2=O)Oc2c1cc(C)cc2

InChI

InChI=1S/C26H24ClN3O3/c1-16-6-11-23-21(12-16)22-14-26(2,33-23)30(25(32)29-22)20-5-3-4-18(13-20)24(31)28-15-17-7-9-19(27)10-8-17/h3-13,22H,14-15H2,1-2H3,(H,28,31)(H,29,32)

InChI Key

SNBIMBYZHLBOSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.987

Distribution Coefficient, logD

4.987

Water Solubility, LogSw

-5.22

Polar Surface Area

57.490

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.10

C326-0402 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Purinergic Library (3321 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C326-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C326-0402?
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What is the minimum amount of C326-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C326-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C326-0402
  • 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 C326-0402 available by request