J032-0082 Screening compound: N1-{[5-(4-chlorophenyl)furan-2-yl]methyl}-1H-1,2,3,4-tetrazole-1,5-diamine

J032-0082 Screening compound: N1-{[5-(4-chlorophenyl)furan-2-yl]methyl}-1H-1,2,3,4-tetrazole-1,5-diamine
J032-0082 Screening compound: N1-{[5-(4-chlorophenyl)furan-2-yl]methyl}-1H-1,2,3,4-tetrazole-1,5-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound J032-0082
N1-{[5-(4-chlorophenyl)furan-2-yl]methyl}-1H-1,2,3,4-tetrazole-1,5-diamine

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

J032-0082

Molecular Formula

C12H11ClN6O (C12 H11 ClN6 O)

Compound Name

N1-{[5-(4-chlorophenyl)furan-2-yl]methyl}-1H-1,2,3,4-tetrazole-1,5-diamine

IUPAC name

N1-{[5-(4-chlorophenyl)furan-2-yl]methyl}-1H-1234-tetrazole-15-diamine

SMILES

Nc1nnnn1NCc1ccc(-c(cc2)ccc2Cl)o1

InChI

InChI=1S/C12H11ClN6O/c13-9-3-1-8(2-4-9)11-6-5-10(20-11)7-15-19-12(14)16-17-18-19/h1-6,15H,7H2,(H2,14,16,18)

InChI Key

BBPXTZWERJJMNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07363169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.71

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.037

Distribution Coefficient, logD

2.037

Water Solubility, LogSw

-2.96

Polar Surface Area

80.480

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

J032-0082 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J032-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J032-0082?
Check Price and Availability of J032-0082, 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 J032-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J032-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J032-0082
  • 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 J032-0082 available by request