D727-0412 Screening compound: 4-fluorophenyl {[3-(3-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl} ether

D727-0412 Screening compound: 4-fluorophenyl {[3-(3-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl} ether
D727-0412 Screening compound: 4-fluorophenyl {[3-(3-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl} ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0412
4-fluorophenyl {[3-(3-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl} ether

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

D727-0412

Molecular Formula

C16H10F2N4OS (C16 H10 F2 N4 OS)

Compound Name

4-fluorophenyl {[3-(3-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl} ether

IUPAC name

6-[(4-fluorophenoxy)methyl]-3-(3-fluorophenyl)-[124]triazolo[34-b][134]thiadiazole

SMILES

Fc(cc1)ccc1OCc(s1)nn2c1nnc2-c1cc(F)ccc1

InChI

InChI=1S/C16H10F2N4OS/c17-11-4-6-13(7-5-11)23-9-14-21-22-15(19-20-16(22)24-14)10-2-1-3-12(18)8-10/h1-8H,9H2

InChI Key

GGWHJKSSJFEQKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09183940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.594

Distribution Coefficient, logD

3.594

Water Solubility, LogSw

-3.78

Polar Surface Area

41.716

Acid Dissociation Constant (pKa)

30.89

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

D727-0412 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Protein Kinases Inhibitors Library (36801 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 D727-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0412?
Check Price and Availability of D727-0412, 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 D727-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0412
  • 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 D727-0412 available by request