8525-0922 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyethoxy)methyl]-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

8525-0922 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyethoxy)methyl]-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
8525-0922 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyethoxy)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 8525-0922
N-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyethoxy)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

8525-0922

Molecular Formula

C17H19N5O6 (C17 H19 N5 O6)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyethoxy)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-[(2-methoxyethoxy)methyl]-5-oxo-4H5H6H7H-[124]triazolo[15-a]pyrimidine-7-carboxamide

SMILES

COCCOCc1nn(C(CC(N2)=O)C(Nc(cc3)cc4c3OCO4)=O)c2n1

InChI

InChI=1S/C17H19N5O6/c1-25-4-5-26-8-14-19-17-20-15(23)7-11(22(17)21-14)16(24)18-10-2-3-12-13(6-10)28-9-27-12/h2-3,6,11H,4-5,7-9H2,1H3,(H,18,24)(H,19,20,21,23)/t11-/m1/s1

InChI Key

JFIGBRBLGKNIMZ-LLVKDONJSA-N

MDL Number (MFCD)

MFCD08076311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.368

Distribution Coefficient, logD

-0.375

Water Solubility, LogSw

-1.83

Polar Surface Area

109.475

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

8525-0922 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8525-0922 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8525-0922?
Check Price and Availability of 8525-0922, 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 8525-0922 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8525-0922
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8525-0922
  • 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 8525-0922 available by request