D727-0811 Screening compound: 2-{3-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1H-indole

D727-0811 Screening compound: 2-{3-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1H-indole
D727-0811 Screening compound: 2-{3-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0811
2-{3-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1H-indole

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

D727-0811

Molecular Formula

C18H12FN5OS (C18 H12 FN5 OS)

Compound Name

2-{3-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1H-indole

IUPAC name

2-{3-[(4-fluorophenoxy)methyl]-[124]triazolo[34-b][134]thiadiazol-6-yl}-1H-indole

SMILES

Fc(cc1)ccc1OCc1nnc2sc(-c3cc(cccc4)c4[nH]3)nn12

InChI

InChI=1S/C18H12FN5OS/c19-12-5-7-13(8-6-12)25-10-16-21-22-18-24(16)23-17(26-18)15-9-11-3-1-2-4-14(11)20-15/h1-9,20H,10H2

InChI Key

WSDMTELDWMLUBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09851144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.843

Distribution Coefficient, logD

3.843

Water Solubility, LogSw

-4.21

Polar Surface Area

51.546

Acid Dissociation Constant (pKa)

16.80

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

D727-0811 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D727-0811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0811?
Check Price and Availability of D727-0811, 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 D727-0811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0811
  • 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 D727-0811 available by request