D466-0478 Screening compound: N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-ylmethyl]-4-methoxyphenyl}-3,4-dimethoxybenzamide

D466-0478 Screening compound: N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-ylmethyl]-4-methoxyphenyl}-3,4-dimethoxybenzamide
D466-0478 Screening compound: N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-ylmethyl]-4-methoxyphenyl}-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D466-0478
N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-ylmethyl]-4-methoxyphenyl}-3,4-dimethoxybenzamide

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

D466-0478

Molecular Formula

C27H28N4O4 (C27 H28 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)c(CN2Cc3nc(cccc4)c4n3CC2)cc1NC(c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C27H28N4O4/c1-33-23-11-9-20(28-27(32)18-8-10-24(34-2)25(15-18)35-3)14-19(23)16-30-12-13-31-22-7-5-4-6-21(22)29-26(31)17-30/h4-11,14-15H,12-13,16-17H2,1-3H3,(H,28,32)

InChI Key

GEOZGPMWZCGLSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.539

Distribution Coefficient, logD

3.501

Water Solubility, LogSw

-3.61

Polar Surface Area

60.896

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

D466-0478 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 D466-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D466-0478?
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What is the minimum amount of D466-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D466-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D466-0478
  • 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 D466-0478 available by request