7120-3169 Screening compound: 5-methyl-9-(1-pyrrolidinyl)[1,3]benzimidazo[2,1-a]phthalazine

7120-3169 Screening compound: 5-methyl-9-(1-pyrrolidinyl)[1,3]benzimidazo[2,1-a]phthalazine
7120-3169 Screening compound: 5-methyl-9-(1-pyrrolidinyl)[1,3]benzimidazo[2,1-a]phthalazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7120-3169
5-methyl-9-(1-pyrrolidinyl)[1,3]benzimidazo[2,1-a]phthalazine

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

7120-3169

Molecular Formula

C19H18N4 (C19 H18 N4)

Compound Name

5-methyl-9-(1-pyrrolidinyl)[1,3]benzimidazo[2,1-a]phthalazine

IUPAC name

8-methyl-13-(pyrrolidin-1-yl)-91017-triazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(17)246811(16)1214-octaene

SMILES

Cc(c1c2cccc1)nn1c2nc(cc2)c1cc2N1CCCC1

InChI

InChI=1S/C19H18N4/c1-13-15-6-2-3-7-16(15)19-20-17-9-8-14(22-10-4-5-11-22)12-18(17)23(19)21-13/h2-3,6-9,12H,4-5,10-11H2,1H3

InChI Key

CFEUHTVTYBCRST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05794946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.166

Distribution Coefficient, logD

4.161

Water Solubility, LogSw

-4.29

Polar Surface Area

23.575

Acid Dissociation Constant (pKa)

25.39

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

7120-3169 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)

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
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7120-3169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7120-3169?
Check Price and Availability of 7120-3169, 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 7120-3169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7120-3169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7120-3169
  • 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 7120-3169 available by request