8002-4145 Screening compound: (E)-1-(3-BROMO-4-METHOXYPHENYL)-N-(4H-1,2,4-TRIAZOL-4-YL)METHANIMINE

8002-4145 Screening compound: (E)-1-(3-BROMO-4-METHOXYPHENYL)-N-(4H-1,2,4-TRIAZOL-4-YL)METHANIMINE
8002-4145 Screening compound: (E)-1-(3-BROMO-4-METHOXYPHENYL)-N-(4H-1,2,4-TRIAZOL-4-YL)METHANIMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-4145
(E)-1-(3-BROMO-4-METHOXYPHENYL)-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

8002-4145

Molecular Formula

C10H9BrN4O (C10 H9 BrN4 O)

Compound Name

(E)-1-(3-BROMO-4-METHOXYPHENYL)-N-(4H-1,2,4-TRIAZOL-4-YL)METHANIMINE

IUPAC name

n/a

SMILES

COc(ccc(/C=N/n1cnnc1)c1)c1Br

InChI

InChI=1S/C10H9BrN4O/c1-16-10-3-2-8(4-9(10)11)5-14-15-6-12-13-7-15/h2-7H,1H3

InChI Key

YZWJWILMGFILEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00732527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.11

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.143

Distribution Coefficient, logD

1.142

Water Solubility, LogSw

-2.03

Polar Surface Area

41.837

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

2.00

8002-4145 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 8002-4145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-4145?
Check Price and Availability of 8002-4145, 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 8002-4145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-4145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-4145
  • 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 8002-4145 available by request