D466-0359 Screening compound: N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)butanamide

D466-0359 Screening compound: N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)butanamide
D466-0359 Screening compound: N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D466-0359
N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)butanamide

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

D466-0359

Molecular Formula

C17H24N4O (C17 H24 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CCCC(Nc(cc1)cc2c1n(CCN(C1)C(C)C)c1n2)=O

InChI

InChI=1S/C17H24N4O/c1-4-5-17(22)18-13-6-7-15-14(10-13)19-16-11-20(12(2)3)8-9-21(15)16/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,18,22)

InChI Key

XSRBLFKQPLFKNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.4

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

2.713

Distribution Coefficient, logD

2.194

Water Solubility, LogSw

-3.09

Polar Surface Area

38.387

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

D466-0359 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

DGK Inhibitors Library (10558 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D466-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D466-0359?
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What is the minimum amount of D466-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D466-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D466-0359
  • 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 D466-0359 available by request