D454-0543 Screening compound: N~1~-{3-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-[4-methyl-1-oxo-2(1H)-phthalazinyl]acetamide

D454-0543 Screening compound: N~1~-{3-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-[4-methyl-1-oxo-2(1H)-phthalazinyl]acetamide
D454-0543 Screening compound: N~1~-{3-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-[4-methyl-1-oxo-2(1H)-phthalazinyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0543
N~1~-{3-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-[4-methyl-1-oxo-2(1H)-phthalazinyl]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

D454-0543

Molecular Formula

C27H23ClN6O2 (C27 H23 ClN6 O2)

Compound Name

N~1~-{3-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-[4-methyl-1-oxo-2(1H)-phthalazinyl]acetamide

IUPAC name

N-(3-{5-chloro-1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraen-11-yl}phenyl)-2-(4-methyl-1-oxo-12-dihydrophthalazin-2-yl)acetamide

SMILES

CC(c1c2cccc1)=NN(CC(Nc1cccc(N3Cc4nc(cc(cc5)Cl)c5n4CC3)c1)=O)C2=O

InChI

InChI=1S/C27H23ClN6O2/c1-17-21-7-2-3-8-22(21)27(36)34(31-17)16-26(35)29-19-5-4-6-20(14-19)32-11-12-33-24-10-9-18(28)13-23(24)30-25(33)15-32/h2-10,13-14H,11-12,15-16H2,1H3,(H,29,35)

InChI Key

JXPAVVKDIFNKFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.470

Distribution Coefficient, logD

4.470

Water Solubility, LogSw

-4.58

Polar Surface Area

64.184

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

D454-0543 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D454-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0543?
Check Price and Availability of D454-0543, 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 D454-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0543
  • 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 D454-0543 available by request