8004-8879 Screening compound: 6-(2,4-dichloro-5-nitrophenyl)-3-methyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazole

8004-8879 Screening compound: 6-(2,4-dichloro-5-nitrophenyl)-3-methyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazole
8004-8879 Screening compound: 6-(2,4-dichloro-5-nitrophenyl)-3-methyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-8879
6-(2,4-dichloro-5-nitrophenyl)-3-methyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazole

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

8004-8879

Molecular Formula

C10H6Cl2N6O2 (C10 H6 Cl2 N6 O2)

Compound Name

6-(2,4-dichloro-5-nitrophenyl)-3-methyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazole

IUPAC name

n/a

SMILES

Cc1nnc2nc(-c(c(Cl)c3)cc([N+]([O-])=O)c3Cl)[nH]n12

InChI

InChI=1S/C10H6Cl2N6O2/c1-4-14-15-10-13-9(16-17(4)10)5-2-8(18(19)20)7(12)3-6(5)11/h2-3H,1H3,(H,13,15,16)

InChI Key

QLNAGQQYAALZDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00657408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.1

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.954

Distribution Coefficient, logD

-1.229

Water Solubility, LogSw

-3.24

Polar Surface Area

78.656

Acid Dissociation Constant (pKa)

4.22

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8004-8879 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8004-8879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-8879?
Check Price and Availability of 8004-8879, 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 8004-8879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-8879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-8879
  • 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 8004-8879 available by request