C301-5459 Screening compound: 2-{[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-yl}-1,2,3,4-tetrahydroisoquinoline

C301-5459 Screening compound: 2-{[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-yl}-1,2,3,4-tetrahydroisoquinoline
C301-5459 Screening compound: 2-{[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-yl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5459
2-{[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-yl}-1,2,3,4-tetrahydroisoquinoline

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

C301-5459

Molecular Formula

C17H14N6 (C17 H14 N6)

Compound Name

2-{[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-yl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{[1234]tetrazolo[51-a]phthalazin-6-yl}-1234-tetrahydroisoquinoline

SMILES

C(CN(C1)c2nn3nnnc3c3c2cccc3)c2c1cccc2

InChI

InChI=1S/C17H14N6/c1-2-6-13-11-22(10-9-12(13)5-1)17-15-8-4-3-7-14(15)16-18-20-21-23(16)19-17/h1-8H,9-11H2

InChI Key

DEFQTPJOJYSFGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09039369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.050

Distribution Coefficient, logD

3.050

Water Solubility, LogSw

-2.94

Polar Surface Area

49.986

Acid Dissociation Constant (pKa)

18.97

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C301-5459 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C301-5459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5459?
Check Price and Availability of C301-5459, 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 C301-5459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5459
  • 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 C301-5459 available by request