C326-0455 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~-isopentylbenzamide

C326-0455 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~-isopentylbenzamide
C326-0455 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~-isopentylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C326-0455
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~-isopentylbenzamide

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

C326-0455

Molecular Formula

C23H26BrN3O3 (C23 H26 BrN3 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~-isopentylbenzamide

IUPAC name

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

SMILES

CC(C)CCNC(c1cccc(N(C(C)(CC2N3)Oc(cc4)c2cc4Br)C3=O)c1)=O

InChI

InChI=1S/C23H26BrN3O3/c1-14(2)9-10-25-21(28)15-5-4-6-17(11-15)27-22(29)26-19-13-23(27,3)30-20-8-7-16(24)12-18(19)20/h4-8,11-12,14,19H,9-10,13H2,1-3H3,(H,25,28)(H,26,29)

InChI Key

RZMCCXBCLGYTGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.803

Distribution Coefficient, logD

4.803

Water Solubility, LogSw

-4.59

Polar Surface Area

57.603

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.10

C326-0455 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 C326-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C326-0455?
Check Price and Availability of C326-0455, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C326-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C326-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C326-0455
  • 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 C326-0455 available by request