8019-9955 Screening compound: 7-(1,3-benzodioxol-5-yl)-2-methyl-3-phenylpyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one

8019-9955 Screening compound: 7-(1,3-benzodioxol-5-yl)-2-methyl-3-phenylpyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one
8019-9955 Screening compound: 7-(1,3-benzodioxol-5-yl)-2-methyl-3-phenylpyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9955
7-(1,3-benzodioxol-5-yl)-2-methyl-3-phenylpyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one

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

8019-9955

Molecular Formula

C22H15N5O3 (C22 H15 N5 O3)

Compound Name

7-(1,3-benzodioxol-5-yl)-2-methyl-3-phenylpyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-6(7H)-one

IUPAC name

11-(2H-13-benzodioxol-5-yl)-4-methyl-5-phenyl-237811-pentaazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-10-one

SMILES

Cc1nn2c(C=CN(c(cc3)cc4c3OCO4)C3=O)c3nnc2c1-c1ccccc1

InChI

InChI=1S/C22H15N5O3/c1-13-19(14-5-3-2-4-6-14)21-24-23-20-16(27(21)25-13)9-10-26(22(20)28)15-7-8-17-18(11-15)30-12-29-17/h2-11H,12H2,1H3

InChI Key

ULXFKRVMRZAYPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10479677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.748

Distribution Coefficient, logD

3.748

Water Solubility, LogSw

-4.25

Polar Surface Area

68.420

Acid Dissociation Constant (pKa)

30.49

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8019-9955 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8019-9955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9955?
Check Price and Availability of 8019-9955, 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 8019-9955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9955
  • 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 8019-9955 available by request