6865-4013 Screening compound: N~1~-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-4-nitrobenzamide

6865-4013 Screening compound: N~1~-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-4-nitrobenzamide
6865-4013 Screening compound: N~1~-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6865-4013
N~1~-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-4-nitrobenzamide

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

6865-4013

Molecular Formula

C24H21N5O3 (C24 H21 N5 O3)

Compound Name

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

IUPAC name

N-{11-benzyl-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-5-yl}-4-nitrobenzamide

SMILES

[O-][N+](c(cc1)ccc1C(Nc(cc1)cc2c1n(CCN(Cc1ccccc1)C1)c1n2)=O)=O

InChI

InChI=1S/C24H21N5O3/c30-24(18-6-9-20(10-7-18)29(31)32)25-19-8-11-22-21(14-19)26-23-16-27(12-13-28(22)23)15-17-4-2-1-3-5-17/h1-11,14H,12-13,15-16H2,(H,25,30)

InChI Key

SKOKAPJJKDZHSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05684676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.979

Distribution Coefficient, logD

3.976

Water Solubility, LogSw

-4.26

Polar Surface Area

71.386

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

6865-4013 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6865-4013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6865-4013?
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What is the minimum amount of 6865-4013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6865-4013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6865-4013
  • 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 6865-4013 available by request