J083-0045 Screening compound: N-{[5-(4-bromophenyl)furan-2-yl]methyl}-2-methyl-2H-1,2,3,4-tetrazol-5-amine

J083-0045 Screening compound: N-{[5-(4-bromophenyl)furan-2-yl]methyl}-2-methyl-2H-1,2,3,4-tetrazol-5-amine
J083-0045 Screening compound: N-{[5-(4-bromophenyl)furan-2-yl]methyl}-2-methyl-2H-1,2,3,4-tetrazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound J083-0045
N-{[5-(4-bromophenyl)furan-2-yl]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

J083-0045

Molecular Formula

C13H12BrN5O (C13 H12 BrN5 O)

Compound Name

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

IUPAC name

N-{[5-(4-bromophenyl)furan-2-yl]methyl}-2-methyl-2H-1234-tetrazol-5-amine

SMILES

Cn1nnc(NCc2ccc(-c(cc3)ccc3Br)o2)n1

InChI

InChI=1S/C13H12BrN5O/c1-19-17-13(16-18-19)15-8-11-6-7-12(20-11)9-2-4-10(14)5-3-9/h2-7H,8H2,1H3,(H,15,17)

InChI Key

DLDZKAFVYNLKDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09694343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.18

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.163

Distribution Coefficient, logD

3.163

Water Solubility, LogSw

-3.18

Polar Surface Area

57.585

Acid Dissociation Constant (pKa)

14.25

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

J083-0045 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • 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 J083-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J083-0045?
Check Price and Availability of J083-0045, 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 J083-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J083-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J083-0045
  • 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 J083-0045 available by request