D454-0054 Screening compound: 3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]aniline

D454-0054 Screening compound: 3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]aniline
D454-0054 Screening compound: 3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0054
3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]aniline

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

D454-0054

Molecular Formula

C16H16N4 (C16 H16 N4)

Compound Name

3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]aniline

IUPAC name

3-{1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraen-11-yl}aniline

SMILES

Nc1cccc(N2Cc3nc(cccc4)c4n3CC2)c1

InChI

InChI=1S/C16H16N4/c17-12-4-3-5-13(10-12)19-8-9-20-15-7-2-1-6-14(15)18-16(20)11-19/h1-7,10H,8-9,11,17H2

InChI Key

ZFRUUHCMVYHADX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.33

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.483

Distribution Coefficient, logD

2.475

Water Solubility, LogSw

-2.67

Polar Surface Area

35.439

Acid Dissociation Constant (pKa)

22.18

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D454-0054 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Fragments Library (11262 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Structure:
  • Fragments
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D454-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0054?
Check Price and Availability of D454-0054, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D454-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0054
  • 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 D454-0054 available by request