D454-0631 Screening compound: N~1~-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}-2-(4-methoxyphenoxy)acetamide

D454-0631 Screening compound: N~1~-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}-2-(4-methoxyphenoxy)acetamide
D454-0631 Screening compound: N~1~-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}-2-(4-methoxyphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0631
N~1~-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}-2-(4-methoxyphenoxy)acetamide

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

D454-0631

Molecular Formula

C26H25ClN4O4 (C26 H25 ClN4 O4)

Compound Name

N~1~-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}-2-(4-methoxyphenoxy)acetamide

IUPAC name

N-(4-{5-chloro-1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraen-11-yl}-2-methoxyphenyl)-2-(4-methoxyphenoxy)acetamide

SMILES

COc(cc1)ccc1OCC(Nc(ccc(N1Cc2nc(cc(cc3)Cl)c3n2CC1)c1)c1OC)=O

InChI

InChI=1S/C26H25ClN4O4/c1-33-19-5-7-20(8-6-19)35-16-26(32)29-21-9-4-18(14-24(21)34-2)30-11-12-31-23-10-3-17(27)13-22(23)28-25(31)15-30/h3-10,13-14H,11-12,15-16H2,1-2H3,(H,29,32)

InChI Key

VINBIVKDNAKZIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.819

Distribution Coefficient, logD

4.819

Water Solubility, LogSw

-4.84

Polar Surface Area

59.487

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

D454-0631 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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 D454-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0631?
Check Price and Availability of D454-0631, 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 D454-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0631
  • 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 D454-0631 available by request