D466-0486 Screening compound: N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-ylmethyl]-4-methoxyphenyl}-2-phenoxyacetamide

D466-0486 Screening compound: N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-ylmethyl]-4-methoxyphenyl}-2-phenoxyacetamide
D466-0486 Screening compound: N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-ylmethyl]-4-methoxyphenyl}-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D466-0486
N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-ylmethyl]-4-methoxyphenyl}-2-phenoxyacetamide

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

D466-0486

Molecular Formula

C26H26N4O3 (C26 H26 N4 O3)

Compound Name

N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-ylmethyl]-4-methoxyphenyl}-2-phenoxyacetamide

IUPAC name

N-[4-methoxy-3-({1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-11-yl}methyl)phenyl]-2-phenoxyacetamide

SMILES

COc(cc1)c(CN2Cc3nc(cccc4)c4n3CC2)cc1NC(COc1ccccc1)=O

InChI

InChI=1S/C26H26N4O3/c1-32-24-12-11-20(27-26(31)18-33-21-7-3-2-4-8-21)15-19(24)16-29-13-14-30-23-10-6-5-9-22(23)28-25(30)17-29/h2-12,15H,13-14,16-18H2,1H3,(H,27,31)

InChI Key

YIBJITVJJTUDBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.920

Distribution Coefficient, logD

3.883

Water Solubility, LogSw

-3.98

Polar Surface Area

52.921

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

D466-0486 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with D466-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D466-0486?
Check Price and Availability of D466-0486, 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 D466-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D466-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D466-0486
  • 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 D466-0486 available by request