3214-0020 Screening compound: 1-hydroxy-2-(2-methyl-5-nitrophenyl)-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one

3214-0020 Screening compound: 1-hydroxy-2-(2-methyl-5-nitrophenyl)-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one
3214-0020 Screening compound: 1-hydroxy-2-(2-methyl-5-nitrophenyl)-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3214-0020
1-hydroxy-2-(2-methyl-5-nitrophenyl)-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-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

3214-0020

Molecular Formula

C14H12N4O4 (C14 H12 N4 O4)

Compound Name

1-hydroxy-2-(2-methyl-5-nitrophenyl)-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one

IUPAC name

1-hydroxy-2-(2-methyl-5-nitrophenyl)-1234-tetrahydro-124-benzotriazin-3-one

SMILES

Cc(ccc([N+]([O-])=O)c1)c1N(C(Nc1c2cccc1)=O)N2O

InChI

InChI=1S/C14H12N4O4/c1-9-6-7-10(18(21)22)8-13(9)16-14(19)15-11-4-2-3-5-12(11)17(16)20/h2-8,20H,1H3,(H,15,19)

InChI Key

IZYAFRDCAMVETJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.786

Distribution Coefficient, logD

2.670

Water Solubility, LogSw

-3.23

Polar Surface Area

81.695

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

-3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

3214-0020 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3214-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3214-0020?
Check Price and Availability of 3214-0020, 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 3214-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3214-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3214-0020
  • 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 3214-0020 available by request