C326-0408 Screening compound: 3-(4-bromo-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)-N~1~-(4-fluorobenzyl)benzamide

C326-0408 Screening compound: 3-(4-bromo-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)-N~1~-(4-fluorobenzyl)benzamide
C326-0408 Screening compound: 3-(4-bromo-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)-N~1~-(4-fluorobenzyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C326-0408
3-(4-bromo-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)-N~1~-(4-fluorobenzyl)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

C326-0408

Molecular Formula

C25H21BrFN3O3 (C25 H21 BrFN3 O3)

Compound Name

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

IUPAC name

3-{4-bromo-9-methyl-11-oxo-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-10-yl}-N-[(4-fluorophenyl)methyl]benzamide

SMILES

CC(CC1N2)(N(c3cc(C(NCc(cc4)ccc4F)=O)ccc3)C2=O)Oc(cc2)c1cc2Br

InChI

InChI=1S/C25H21BrFN3O3/c1-25-13-21(20-12-17(26)7-10-22(20)33-25)29-24(32)30(25)19-4-2-3-16(11-19)23(31)28-14-15-5-8-18(27)9-6-15/h2-12,21H,13-14H2,1H3,(H,28,31)(H,29,32)

InChI Key

ZXOITBJZMDZUJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.36

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

4.805

Distribution Coefficient, logD

4.805

Water Solubility, LogSw

-4.76

Polar Surface Area

57.490

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.00

C326-0408 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Purinergic Library (3321 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C326-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C326-0408?
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What is the minimum amount of C326-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C326-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C326-0408
  • 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 C326-0408 available by request