8563-0855 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

8563-0855 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
8563-0855 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8563-0855
N-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

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

8563-0855

Molecular Formula

C14H13N5O4 (C14 H13 N5 O4)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-methyl-5-oxo-4H5H6H7H-[124]triazolo[15-a]pyrimidine-7-carboxamide

SMILES

Cc1nn(C(CC(N2)=O)C(Nc(cc3)cc4c3OCO4)=O)c2n1

InChI

InChI=1S/C14H13N5O4/c1-7-15-14-17-12(20)5-9(19(14)18-7)13(21)16-8-2-3-10-11(4-8)23-6-22-10/h2-4,9H,5-6H2,1H3,(H,16,21)(H,15,17,18,20)/t9-/m1/s1

InChI Key

HLZZOKWFSOXQMF-SECBINFHSA-N

MDL Number (MFCD)

MFCD06779723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.306

Distribution Coefficient, logD

0.300

Water Solubility, LogSw

-1.90

Polar Surface Area

91.401

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

8563-0855 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8563-0855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8563-0855?
Check Price and Availability of 8563-0855, 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 8563-0855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8563-0855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8563-0855
  • 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 8563-0855 available by request