D727-0172 Screening compound: 6-[(4-methoxyphenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D727-0172 Screening compound: 6-[(4-methoxyphenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D727-0172 Screening compound: 6-[(4-methoxyphenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0172
6-[(4-methoxyphenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

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

D727-0172

Molecular Formula

C19H18N4O3S (C19 H18 N4 O3 S)

Compound Name

6-[(4-methoxyphenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

6-[(4-methoxyphenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-[124]triazolo[34-b][134]thiadiazole

SMILES

COc1ccc(Cc2nnc3sc(COc(cc4)ccc4OC)nn23)cc1

InChI

InChI=1S/C19H18N4O3S/c1-24-14-5-3-13(4-6-14)11-17-20-21-19-23(17)22-18(27-19)12-26-16-9-7-15(25-2)8-10-16/h3-10H,11-12H2,1-2H3

InChI Key

LAEYKJDDYJMHKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09039719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.042

Distribution Coefficient, logD

3.042

Water Solubility, LogSw

-3.13

Polar Surface Area

57.780

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D727-0172 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D727-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0172?
Check Price and Availability of D727-0172, 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 D727-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0172
  • 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 D727-0172 available by request