D727-0553 Screening compound: 3-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

D727-0553 Screening compound: 3-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
D727-0553 Screening compound: 3-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0553
3-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)-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

D727-0553

Molecular Formula

C20H18N4O4S (C20 H18 N4 O4 S)

Compound Name

3-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

IUPAC name

3-(4-methylphenyl)-7-(345-trimethoxyphenyl)-4H-[134]thiadiazolo[23-c][124]triazin-4-one

SMILES

Cc(cc1)ccc1C1=NN=C2SC(c(cc3OC)cc(OC)c3OC)=NN2C1=O

InChI

InChI=1S/C20H18N4O4S/c1-11-5-7-12(8-6-11)16-19(25)24-20(22-21-16)29-18(23-24)13-9-14(26-2)17(28-4)15(10-13)27-3/h5-10H,1-4H3

InChI Key

HCDVUDUHOJUJDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09184841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.650

Distribution Coefficient, logD

3.633

Water Solubility, LogSw

-3.87

Polar Surface Area

70.803

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D727-0553 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D727-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0553?
Check Price and Availability of D727-0553, 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 D727-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0553
  • 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 D727-0553 available by request