4826-0435 Screening compound: 2-amino-7-(3-nitrophenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

4826-0435 Screening compound: 2-amino-7-(3-nitrophenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
4826-0435 Screening compound: 2-amino-7-(3-nitrophenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4826-0435
2-amino-7-(3-nitrophenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-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

4826-0435

Molecular Formula

C11H10N6O3 (C11 H10 N6 O3)

Compound Name

2-amino-7-(3-nitrophenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

IUPAC name

2-amino-7-(3-nitrophenyl)-4H5H6H7H-[124]triazolo[15-a]pyrimidin-5-one

SMILES

Nc1nn(C(CC(N2)=O)c3cccc([N+]([O-])=O)c3)c2n1

InChI

InChI=1S/C11H10N6O3/c12-10-14-11-13-9(18)5-8(16(11)15-10)6-2-1-3-7(4-6)17(19)20/h1-4,8H,5H2,(H3,12,13,14,15,18)/t8-/m0/s1

InChI Key

IXPSFQQUYGIBDI-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD03556137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.24

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.574

Distribution Coefficient, logD

0.574

Water Solubility, LogSw

-2.24

Polar Surface Area

105.158

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

4826-0435 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4826-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4826-0435?
Check Price and Availability of 4826-0435, 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 4826-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4826-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4826-0435
  • 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 4826-0435 available by request