D727-0840 Screening compound: 7-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

D727-0840 Screening compound: 7-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
D727-0840 Screening compound: 7-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0840
7-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

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

D727-0840

Molecular Formula

C17H16N6OS (C17 H16 N6 OS)

Compound Name

7-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

IUPAC name

n/a

SMILES

CC(C)Cc1n[nH]c(C(SC2=NN=C3c4ccccc4)=NN2C3=O)c1

InChI

InChI=1S/C17H16N6OS/c1-10(2)8-12-9-13(19-18-12)15-22-23-16(24)14(20-21-17(23)25-15)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,18,19)

InChI Key

XLTJYFNXBABVSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09848860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.752

Distribution Coefficient, logD

3.742

Water Solubility, LogSw

-3.99

Polar Surface Area

71.082

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D727-0840 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

C-Met Library (15277 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D727-0840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0840?
Check Price and Availability of D727-0840, 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 D727-0840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0840
  • 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 D727-0840 available by request