8004-7021 Screening compound: (E)-1-(3-bromophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine

8004-7021 Screening compound: (E)-1-(3-bromophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine
8004-7021 Screening compound: (E)-1-(3-bromophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-7021
(E)-1-(3-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

8004-7021

Molecular Formula

C9H7BrN4 (C9 H7 BrN4)

Compound Name

(E)-1-(3-bromophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine

IUPAC name

(E)-1-(3-bromophenyl)-N-(4H-124-triazol-4-yl)methanimine

SMILES

Brc1cc(/C=N/n2cnnc2)ccc1

InChI

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

InChI Key

ZPDHHXCRNJMJHB-UHFFFAOYSA-N

MDL Number (MFCD)

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

1.570

Distribution Coefficient, logD

1.569

Water Solubility, LogSw

-1.39

Polar Surface Area

34.206

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8004-7021 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8004-7021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-7021?
Check Price and Availability of 8004-7021, 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 8004-7021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-7021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-7021
  • 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 8004-7021 available by request