6865-4005 Screening compound: N~1~-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-methoxybenzamide

6865-4005 Screening compound: N~1~-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-methoxybenzamide
6865-4005 Screening compound: N~1~-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6865-4005
N~1~-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-methoxybenzamide

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

6865-4005

Molecular Formula

C25H24N4O2 (C25 H24 N4 O2)

Compound Name

N~1~-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-methoxybenzamide

IUPAC name

N-{11-benzyl-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-5-yl}-2-methoxybenzamide

SMILES

COc(cccc1)c1C(Nc(cc1)cc2c1n(CCN(Cc1ccccc1)C1)c1n2)=O

InChI

InChI=1S/C25H24N4O2/c1-31-23-10-6-5-9-20(23)25(30)26-19-11-12-22-21(15-19)27-24-17-28(13-14-29(22)24)16-18-7-3-2-4-8-18/h2-12,15H,13-14,16-17H2,1H3,(H,26,30)

InChI Key

PKXBRSAGPJVSQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05679766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.878

Distribution Coefficient, logD

3.873

Water Solubility, LogSw

-4.01

Polar Surface Area

45.635

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

6865-4005 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Human Transcription Factors Annotated Library (5098 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6865-4005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6865-4005?
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What is the minimum amount of 6865-4005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6865-4005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6865-4005
  • 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 6865-4005 available by request