D466-0472 Screening compound: N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-ylmethyl]-4-methoxyphenyl}-4-methoxybenzamide

D466-0472 Screening compound: N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-ylmethyl]-4-methoxyphenyl}-4-methoxybenzamide
D466-0472 Screening compound: N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-ylmethyl]-4-methoxyphenyl}-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D466-0472
N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-ylmethyl]-4-methoxyphenyl}-4-methoxybenzamide

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

D466-0472

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}-4-methoxybenzamide

IUPAC name

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

SMILES

COc(cc1)ccc1C(Nc(cc1)cc(CN2Cc3nc(cccc4)c4n3CC2)c1OC)=O

InChI

InChI=1S/C26H26N4O3/c1-32-21-10-7-18(8-11-21)26(31)27-20-9-12-24(33-2)19(15-20)16-29-13-14-30-23-6-4-3-5-22(23)28-25(30)17-29/h3-12,15H,13-14,16-17H2,1-2H3,(H,27,31)

InChI Key

CSBLONILMPTCMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588211

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

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.897

Distribution Coefficient, logD

3.859

Water Solubility, LogSw

-4.08

Polar Surface Area

53.179

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

D466-0472 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

CNS Targets (44014 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with D466-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D466-0472?
Check Price and Availability of D466-0472, 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 D466-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D466-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D466-0472
  • 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 D466-0472 available by request