D073-0070 Screening compound: N-(4-methyl-1-phthalazinyl)-N-[2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]amine

D073-0070 Screening compound: N-(4-methyl-1-phthalazinyl)-N-[2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]amine
D073-0070 Screening compound: N-(4-methyl-1-phthalazinyl)-N-[2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D073-0070
N-(4-methyl-1-phthalazinyl)-N-[2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]amine

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

D073-0070

Molecular Formula

C27H26N6 (C27 H26 N6)

Compound Name

N-(4-methyl-1-phthalazinyl)-N-[2-(1-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl]amine

IUPAC name

N-(4-methylphthalazin-1-yl)-11-(1-phenylethyl)-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-5-amine

SMILES

CC(c1ccccc1)N1Cc2nc(cc(cc3)Nc4nnc(C)c5ccccc45)c3n2CC1

InChI

InChI=1S/C27H26N6/c1-18-22-10-6-7-11-23(22)27(31-30-18)28-21-12-13-25-24(16-21)29-26-17-32(14-15-33(25)26)19(2)20-8-4-3-5-9-20/h3-13,16,19H,14-15,17H2,1-2H3,(H,28,31)/t19-/m0/s1

InChI Key

HKJFLXORILOVQX-IBGZPJMESA-N

MDL Number (MFCD)

MFCD06001170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.888

Distribution Coefficient, logD

4.104

Water Solubility, LogSw

-4.80

Polar Surface Area

46.186

Acid Dissociation Constant (pKa)

18.56

Base Dissociation Constant (pKb)

8.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

D073-0070 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

MCL1 Targeted Library (12200 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D073-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D073-0070?
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What is the minimum amount of D073-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D073-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D073-0070
  • 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 D073-0070 available by request