J083-0002 Screening compound: N-[(4-bromophenyl)methyl]-2-methyl-2H-1,2,3,4-tetrazol-5-amine

J083-0002 Screening compound: N-[(4-bromophenyl)methyl]-2-methyl-2H-1,2,3,4-tetrazol-5-amine
J083-0002 Screening compound: N-[(4-bromophenyl)methyl]-2-methyl-2H-1,2,3,4-tetrazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound J083-0002
N-[(4-bromophenyl)methyl]-2-methyl-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

J083-0002

Molecular Formula

C9H10BrN5 (C9 H10 BrN5)

Compound Name

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

IUPAC name

N-[(4-bromophenyl)methyl]-2-methyl-2H-1234-tetrazol-5-amine

SMILES

Cn1nnc(NCc(cc2)ccc2Br)n1

InChI

InChI=1S/C9H10BrN5/c1-15-13-9(12-14-15)11-6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3,(H,11,13)

InChI Key

LEFSHUCLXIBYOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09694342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.12

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.679

Distribution Coefficient, logD

1.679

Water Solubility, LogSw

-1.76

Polar Surface Area

50.016

Acid Dissociation Constant (pKa)

14.62

Base Dissociation Constant (pKb)

1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

J083-0002 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Fragments Library (11262 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
  • Agro
Structure:
  • Fragments
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with J083-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J083-0002?
Check Price and Availability of J083-0002, 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 J083-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J083-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J083-0002
  • 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 J083-0002 available by request