8014-8002 Screening compound: 5-bromo-1-methyl-3-nitro-1H-1,2,4-triazole

8014-8002 Screening compound: 5-bromo-1-methyl-3-nitro-1H-1,2,4-triazole
8014-8002 Screening compound: 5-bromo-1-methyl-3-nitro-1H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8002
5-bromo-1-methyl-3-nitro-1H-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

8014-8002

Molecular Formula

C3H3BrN4O2 (C3 H3 BrN4 O2)

Compound Name

5-bromo-1-methyl-3-nitro-1H-1,2,4-triazole

IUPAC name

5-bromo-1-methyl-3-nitro-1H-124-triazole

SMILES

Cn(c(Br)n1)nc1[N+]([O-])=O

InChI

InChI=1S/C3H3BrN4O2/c1-7-2(4)5-3(6-7)8(9)10/h1H3

InChI Key

BILVAFUMOLVWDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00487255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

206.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.529

Distribution Coefficient, logD

0.529

Water Solubility, LogSw

-0.40

Polar Surface Area

58.490

Acid Dissociation Constant (pKa)

29.34

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8014-8002 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8014-8002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8002?
Check Price and Availability of 8014-8002, 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 8014-8002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8002
  • 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 8014-8002 available by request