0712-0014 Screening compound: 4-butyl-1-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}-3,5-dimethyl-1H-pyrazole

0712-0014 Screening compound: 4-butyl-1-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}-3,5-dimethyl-1H-pyrazole
0712-0014 Screening compound: 4-butyl-1-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}-3,5-dimethyl-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0712-0014
4-butyl-1-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}-3,5-dimethyl-1H-pyrazole

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

0712-0014

Molecular Formula

C20H24N6 (C20 H24 N6)

Compound Name

4-butyl-1-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}-3,5-dimethyl-1H-pyrazole

IUPAC name

4-butyl-1-{5-ethyl-5H-[124]triazino[56-b]indol-3-yl}-35-dimethyl-1H-pyrazole

SMILES

CCCCc1c(C)n(-c2nc(n(CC)c3c4cccc3)c4nn2)nc1C

InChI

InChI=1S/C20H24N6/c1-5-7-10-15-13(3)24-26(14(15)4)20-21-19-18(22-23-20)16-11-8-9-12-17(16)25(19)6-2/h8-9,11-12H,5-7,10H2,1-4H3

InChI Key

YOHBRAYMFNPTAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00640489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.473

Distribution Coefficient, logD

4.471

Water Solubility, LogSw

-4.34

Polar Surface Area

47.598

Acid Dissociation Constant (pKa)

20.15

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

0712-0014 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0712-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0712-0014?
Check Price and Availability of 0712-0014, 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 0712-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0712-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0712-0014
  • 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 0712-0014 available by request