4300-0044 Screening compound: 2-(4-bromophenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide

4300-0044 Screening compound: 2-(4-bromophenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
4300-0044 Screening compound: 2-(4-bromophenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4300-0044
2-(4-bromophenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide

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

4300-0044

Molecular Formula

C10H9BrN4O2 (C10 H9 BrN4 O2)

Compound Name

2-(4-bromophenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide

IUPAC name

2-(4-bromophenoxy)-N-(4H-124-triazol-3-yl)acetamide

SMILES

O=C(COc(cc1)ccc1Br)Nc1nnc[nH]1

InChI

InChI=1S/C10H9BrN4O2/c11-7-1-3-8(4-2-7)17-5-9(16)14-10-12-6-13-15-10/h1-4,6H,5H2,(H2,12,13,14,15,16)

InChI Key

IZDJUHZKYTXBIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02339467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.11

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.002

Distribution Coefficient, logD

0.988

Water Solubility, LogSw

-1.94

Polar Surface Area

67.453

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

4300-0044 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Phosphatases Annotated Library (206 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4300-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4300-0044?
Check Price and Availability of 4300-0044, 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 4300-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4300-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4300-0044
  • 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 4300-0044 available by request