C326-0025 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzamide

C326-0025 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzamide
C326-0025 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(9-methyl-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 C326-0025
N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(9-methyl-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

C326-0025

Molecular Formula

C26H23N3O5 (C26 H23 N3 O5)

Compound Name

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

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-3-{9-methyl-11-oxo-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-10-yl}benzamide

SMILES

CC(CC1N2)(N(c3cc(C(Nc(cc4)cc5c4OCCO5)=O)ccc3)C2=O)Oc2c1cccc2

InChI

InChI=1S/C26H23N3O5/c1-26-15-20(19-7-2-3-8-21(19)34-26)28-25(31)29(26)18-6-4-5-16(13-18)24(30)27-17-9-10-22-23(14-17)33-12-11-32-22/h2-10,13-14,20H,11-12,15H2,1H3,(H,27,30)(H,28,31)

InChI Key

JDWCUHPQEPDZQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.299

Distribution Coefficient, logD

3.299

Water Solubility, LogSw

-3.75

Polar Surface Area

71.991

Acid Dissociation Constant (pKa)

10.58

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.10

C326-0025 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 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
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C326-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C326-0025?
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What is the minimum amount of C326-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C326-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C326-0025
  • 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 C326-0025 available by request