K060-0097 Screening compound: (E)-N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-1-(furan-2-yl)methanimine

K060-0097 Screening compound: (E)-N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-1-(furan-2-yl)methanimine
K060-0097 Screening compound: (E)-N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-1-(furan-2-yl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound K060-0097
(E)-N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-1-(furan-2-yl)methanimine

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

K060-0097

Molecular Formula

C13H14N6O (C13 H14 N6 O)

Compound Name

(E)-N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-1-(furan-2-yl)methanimine

IUPAC name

(E)-N-[3-(35-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-124-triazol-4-yl]-1-(furan-2-yl)methanimine

SMILES

Cc1cc(C)nn1-c1nnc(C)n1/N=C/c1ccco1

InChI

InChI=1S/C13H14N6O/c1-9-7-10(2)18(17-9)13-16-15-11(3)19(13)14-8-12-5-4-6-20-12/h4-8H,1-3H3

InChI Key

AGMIUSUYXCGPJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01538576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.734

Distribution Coefficient, logD

0.734

Water Solubility, LogSw

-1.17

Polar Surface Area

57.233

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

K060-0097 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K060-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K060-0097?
Check Price and Availability of K060-0097, 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 K060-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K060-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K060-0097
  • 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 K060-0097 available by request