8013-4014 Screening compound: 5-[4-(trifluoromethoxy)phenyl]-2-furaldehyde 2-(4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)hydrazone

8013-4014 Screening compound: 5-[4-(trifluoromethoxy)phenyl]-2-furaldehyde 2-(4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)hydrazone
8013-4014 Screening compound: 5-[4-(trifluoromethoxy)phenyl]-2-furaldehyde 2-(4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-4014
5-[4-(trifluoromethoxy)phenyl]-2-furaldehyde 2-(4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)hydrazone

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

8013-4014

Molecular Formula

C16H15F3N6O2 (C16 H15 F3 N6 O2)

Compound Name

5-[4-(trifluoromethoxy)phenyl]-2-furaldehyde 2-(4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)hydrazone

IUPAC name

3-ethyl-5-[(2E)-2-({5-[4-(trifluoromethoxy)phenyl]furan-2-yl}methylidene)hydrazin-1-yl]-4H-124-triazol-4-amine

SMILES

CCc1nnc(N/N=C/c2ccc(-c(cc3)ccc3OC(F)(F)F)o2)n1N

InChI

InChI=1S/C16H15F3N6O2/c1-2-14-22-24-15(25(14)20)23-21-9-12-7-8-13(26-12)10-3-5-11(6-4-10)27-16(17,18)19/h3-9H,2,20H2,1H3,(H,23,24)

InChI Key

ZEAWWQSJJLUCIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766475

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

380.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.005

Distribution Coefficient, logD

4.005

Water Solubility, LogSw

-4.28

Polar Surface Area

79.628

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

8013-4014 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8013-4014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-4014?
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What is the minimum amount of 8013-4014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-4014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-4014
  • 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 8013-4014 available by request