C301-8859 Screening compound: 2-(4-{[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-yl}piperazin-1-yl)pyrimidine

C301-8859 Screening compound: 2-(4-{[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-yl}piperazin-1-yl)pyrimidine
C301-8859 Screening compound: 2-(4-{[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-yl}piperazin-1-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8859
2-(4-{[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-yl}piperazin-1-yl)pyrimidine

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

C301-8859

Molecular Formula

C16H15N9 (C16 H15 N9)

Compound Name

2-(4-{[1,2,3,4]tetrazolo[5,1-a]phthalazin-6-yl}piperazin-1-yl)pyrimidine

IUPAC name

2-(4-{[1234]tetrazolo[51-a]phthalazin-6-yl}piperazin-1-yl)pyrimidine

SMILES

C(CN(CC1)c2ncccn2)N1c1nn2nnnc2c2c1cccc2

InChI

InChI=1S/C16H15N9/c1-2-5-13-12(4-1)14-19-21-22-25(14)20-15(13)23-8-10-24(11-9-23)16-17-6-3-7-18-16/h1-7H,8-11H2

InChI Key

BUFLJLNOCOUMFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.194

Distribution Coefficient, logD

2.194

Water Solubility, LogSw

-2.19

Polar Surface Area

71.947

Acid Dissociation Constant (pKa)

20.84

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C301-8859 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C301-8859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8859?
Check Price and Availability of C301-8859, 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 C301-8859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8859
  • 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 C301-8859 available by request