D466-0361 Screening compound: N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-methylpropanamide

D466-0361 Screening compound: N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-methylpropanamide
D466-0361 Screening compound: N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D466-0361
N~1~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-methylpropanamide

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

D466-0361

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)-2-methylpropanamide

IUPAC name

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

SMILES

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

InChI

InChI=1S/C17H24N4O/c1-11(2)17(22)18-13-5-6-15-14(9-13)19-16-10-20(12(3)4)7-8-21(15)16/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,18,22)

InChI Key

PTZHVWICQWMQOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588146

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

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.698

Distribution Coefficient, logD

2.179

Water Solubility, LogSw

-3.16

Polar Surface Area

38.600

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

D466-0361 in Drug Discovery

Included in Screening Libraries

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

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D466-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D466-0361?
Check Price and Availability of D466-0361, 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 D466-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D466-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D466-0361
  • 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 D466-0361 available by request