8013-2416 Screening compound: 4-(7-benzyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenyl methyl ether

8013-2416 Screening compound: 4-(7-benzyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenyl methyl ether
8013-2416 Screening compound: 4-(7-benzyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2416
4-(7-benzyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenyl methyl ether

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

8013-2416

Molecular Formula

C20H16N6O (C20 H16 N6 O)

Compound Name

4-(7-benzyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenyl methyl ether

IUPAC name

10-benzyl-5-(4-methoxyphenyl)-34681011-hexaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

COc(cc1)ccc1-c1nnc2n1cnc1c2cnn1Cc1ccccc1

InChI

InChI=1S/C20H16N6O/c1-27-16-9-7-15(8-10-16)18-23-24-20-17-11-22-26(19(17)21-13-25(18)20)12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3

InChI Key

YBUJSCKOJHSLAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03287941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.076

Distribution Coefficient, logD

3.075

Water Solubility, LogSw

-2.92

Polar Surface Area

52.317

Acid Dissociation Constant (pKa)

24.38

Base Dissociation Constant (pKb)

6.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8013-2416 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8013-2416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2416?
Check Price and Availability of 8013-2416, 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 8013-2416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2416
  • 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 8013-2416 available by request