6865-4023 Screening compound: N-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-N'-cyclohexylurea

6865-4023 Screening compound: N-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-N'-cyclohexylurea
6865-4023 Screening compound: N-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-N'-cyclohexylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 6865-4023
N-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-N'-cyclohexylurea

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

6865-4023

Molecular Formula

C24H29N5O (C24 H29 N5 O)

Compound Name

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

IUPAC name

3-{11-benzyl-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-5-yl}-1-cyclohexylurea

SMILES

O=C(NC1CCCCC1)Nc(cc1)cc2c1n(CCN(Cc1ccccc1)C1)c1n2

InChI

InChI=1S/C24H29N5O/c30-24(25-19-9-5-2-6-10-19)26-20-11-12-22-21(15-20)27-23-17-28(13-14-29(22)23)16-18-7-3-1-4-8-18/h1,3-4,7-8,11-12,15,19H,2,5-6,9-10,13-14,16-17H2,(H2,25,26,30)

InChI Key

KBDOKTJKCAHONB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05687543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.316

Distribution Coefficient, logD

4.313

Water Solubility, LogSw

-4.16

Polar Surface Area

48.264

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

6865-4023 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

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

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6865-4023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6865-4023?
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What is the minimum amount of 6865-4023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6865-4023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6865-4023
  • 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 6865-4023 available by request