J083-0179 Screening compound: N-[(4-bromophenyl)methyl]-2-(prop-2-en-1-yl)-2H-1,2,3,4-tetrazol-5-amine

J083-0179 Screening compound: N-[(4-bromophenyl)methyl]-2-(prop-2-en-1-yl)-2H-1,2,3,4-tetrazol-5-amine
J083-0179 Screening compound: N-[(4-bromophenyl)methyl]-2-(prop-2-en-1-yl)-2H-1,2,3,4-tetrazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound J083-0179
N-[(4-bromophenyl)methyl]-2-(prop-2-en-1-yl)-2H-1,2,3,4-tetrazol-5-amine

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

J083-0179

Molecular Formula

C11H12BrN5 (C11 H12 BrN5)

Compound Name

N-[(4-bromophenyl)methyl]-2-(prop-2-en-1-yl)-2H-1,2,3,4-tetrazol-5-amine

IUPAC name

N-[(4-bromophenyl)methyl]-2-(prop-2-en-1-yl)-2H-1234-tetrazol-5-amine

SMILES

C=CCn1nnc(NCc(cc2)ccc2Br)n1

InChI

InChI=1S/C11H12BrN5/c1-2-7-17-15-11(14-16-17)13-8-9-3-5-10(12)6-4-9/h2-6H,1,7-8H2,(H,13,15)

InChI Key

BUGULZDJWCNYHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09694333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.15

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.530

Distribution Coefficient, logD

2.530

Water Solubility, LogSw

-2.57

Polar Surface Area

50.232

Acid Dissociation Constant (pKa)

14.87

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

J083-0179 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J083-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J083-0179?
Check Price and Availability of J083-0179, 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 J083-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J083-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J083-0179
  • 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 J083-0179 available by request