D727-0911 Screening compound: 4-fluorophenyl {[3-(3-methyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl} ether

D727-0911 Screening compound: 4-fluorophenyl {[3-(3-methyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl} ether
D727-0911 Screening compound: 4-fluorophenyl {[3-(3-methyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl} ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0911
4-fluorophenyl {[3-(3-methyl-1H-pyrazol-5-yl)[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

D727-0911

Molecular Formula

C14H11FN6OS (C14 H11 FN6 OS)

Compound Name

4-fluorophenyl {[3-(3-methyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl} ether

IUPAC name

5-{6-[(4-fluorophenoxy)methyl]-[124]triazolo[34-b][134]thiadiazol-3-yl}-3-methyl-1H-pyrazole

SMILES

Cc1n[nH]c(-c2nnc3sc(COc(cc4)ccc4F)nn23)c1

InChI

InChI=1S/C14H11FN6OS/c1-8-6-11(17-16-8)13-18-19-14-21(13)20-12(23-14)7-22-10-4-2-9(15)3-5-10/h2-6H,7H2,1H3,(H,16,17)

InChI Key

RBUQOACGOIKJMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12218496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.123

Distribution Coefficient, logD

2.123

Water Solubility, LogSw

-2.68

Polar Surface Area

64.284

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

D727-0911 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

BRD4 Targeted Library (4534 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
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with D727-0911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0911?
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What is the minimum amount of D727-0911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0911
  • 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 D727-0911 available by request