6865-4019 Screening compound: N~2~-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-thiophenecarboxamide

6865-4019 Screening compound: N~2~-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-thiophenecarboxamide
6865-4019 Screening compound: N~2~-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6865-4019
N~2~-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-thiophenecarboxamide

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

6865-4019

Molecular Formula

C22H20N4OS (C22 H20 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccs1)Nc(cc1)cc2c1n(CCN(Cc1ccccc1)C1)c1n2

InChI

InChI=1S/C22H20N4OS/c27-22(20-7-4-12-28-20)23-17-8-9-19-18(13-17)24-21-15-25(10-11-26(19)21)14-16-5-2-1-3-6-16/h1-9,12-13H,10-11,14-15H2,(H,23,27)

InChI Key

DVZVARLKXRHJHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05685132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.966

Distribution Coefficient, logD

3.963

Water Solubility, LogSw

-4.11

Polar Surface Area

39.023

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

6865-4019 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6865-4019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6865-4019?
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What is the minimum amount of 6865-4019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6865-4019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6865-4019
  • 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 6865-4019 available by request