C326-0137 Screening compound: N~1~-(1,3-benzodioxol-5-ylmethyl)-3-(4-chloro-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzamide

C326-0137 Screening compound: N~1~-(1,3-benzodioxol-5-ylmethyl)-3-(4-chloro-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzamide
C326-0137 Screening compound: N~1~-(1,3-benzodioxol-5-ylmethyl)-3-(4-chloro-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 C326-0137
N~1~-(1,3-benzodioxol-5-ylmethyl)-3-(4-chloro-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

C326-0137

Molecular Formula

C26H22ClN3O5 (C26 H22 ClN3 O5)

Compound Name

N~1~-(1,3-benzodioxol-5-ylmethyl)-3-(4-chloro-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-[(2H-13-benzodioxol-5-yl)methyl]-3-{4-chloro-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(NCc(cc4)cc5c4OCO5)=O)ccc3)C2=O)Oc(cc2)c1cc2Cl

InChI

InChI=1S/C26H22ClN3O5/c1-26-12-20(19-11-17(27)6-8-21(19)35-26)29-25(32)30(26)18-4-2-3-16(10-18)24(31)28-13-15-5-7-22-23(9-15)34-14-33-22/h2-11,20H,12-14H2,1H3,(H,28,31)(H,29,32)

InChI Key

GZSJNZUVROHIMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.562

Distribution Coefficient, logD

4.562

Water Solubility, LogSw

-4.82

Polar Surface Area

74.606

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.10

C326-0137 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 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)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C326-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C326-0137?
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What is the minimum amount of C326-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C326-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C326-0137
  • 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 C326-0137 available by request