8006-5042 Screening compound: 3-(2-bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate

8006-5042 Screening compound: 3-(2-bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate
8006-5042 Screening compound: 3-(2-bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5042
3-(2-bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate

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

8006-5042

Molecular Formula

C7H4BrN3O2 (C7 H4 BrN3 O2)

Compound Name

3-(2-bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate

IUPAC name

n/a

SMILES

[O-]c1n[n+](-c(cccc2)c2Br)no1

InChI

InChI=1S/C7H4BrN3O2/c8-5-3-1-2-4-6(5)11-9-7(12)13-10-11/h1-4H

InChI Key

RYIQPEWLZNSCMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

242.03

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.172

Distribution Coefficient, logD

1.172

Water Solubility, LogSw

-1.50

Polar Surface Area

51.146

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-6.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8006-5042 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8006-5042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5042?
Check Price and Availability of 8006-5042, 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 8006-5042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5042
  • 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 8006-5042 available by request