6865-4024 Screening compound: N~1~-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-(4-nitrophenoxy)acetamide

6865-4024 Screening compound: N~1~-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-(4-nitrophenoxy)acetamide
6865-4024 Screening compound: N~1~-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-(4-nitrophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6865-4024
N~1~-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-(4-nitrophenoxy)acetamide

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

6865-4024

Molecular Formula

C25H23N5O4 (C25 H23 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1OCC(Nc(cc1)cc2c1n(CCN(Cc1ccccc1)C1)c1n2)=O)=O

InChI

InChI=1S/C25H23N5O4/c31-25(17-34-21-9-7-20(8-10-21)30(32)33)26-19-6-11-23-22(14-19)27-24-16-28(12-13-29(23)24)15-18-4-2-1-3-5-18/h1-11,14H,12-13,15-17H2,(H,26,31)

InChI Key

OVCBJJMEJFYPHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05688032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.013

Distribution Coefficient, logD

3.955

Water Solubility, LogSw

-4.18

Polar Surface Area

78.672

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

6.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

6865-4024 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6865-4024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6865-4024?
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What is the minimum amount of 6865-4024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6865-4024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6865-4024
  • 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 6865-4024 available by request