0096-0251 Screening compound: (E)-1-(4-bromophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine

0096-0251 Screening compound: (E)-1-(4-bromophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine
0096-0251 Screening compound: (E)-1-(4-bromophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0096-0251
(E)-1-(4-bromophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine

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

0096-0251

Molecular Formula

C9H7BrN4 (C9 H7 BrN4)

Compound Name

(E)-1-(4-bromophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine

IUPAC name

(E)-1-(4-bromophenyl)-N-(4H-124-triazol-4-yl)methanimine

SMILES

Brc1ccc(/C=N/n2cnnc2)cc1

InChI

InChI=1S/C9H7BrN4/c10-9-3-1-8(2-4-9)5-13-14-6-11-12-7-14/h1-7H

InChI Key

DNEVVDSOWJXLAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00160873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.09

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.455

Distribution Coefficient, logD

1.454

Water Solubility, LogSw

-1.15

Polar Surface Area

34.206

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0096-0251 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Crystallographic and 19F NMR fragment-libraries (624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0096-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0096-0251?
Check Price and Availability of 0096-0251, 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 0096-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0096-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0096-0251
  • 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 0096-0251 available by request