D727-0477 Screening compound: 3-{3-[(4-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}pyridine

D727-0477 Screening compound: 3-{3-[(4-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}pyridine
D727-0477 Screening compound: 3-{3-[(4-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0477
3-{3-[(4-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}pyridine

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

D727-0477

Molecular Formula

C16H13N5O2S (C16 H13 N5 O2 S)

Compound Name

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

IUPAC name

3-{3-[(4-methoxyphenoxy)methyl]-[124]triazolo[34-b][134]thiadiazol-6-yl}pyridine

SMILES

COc(cc1)ccc1OCc1nnc2sc(-c3cnccc3)nn12

InChI

InChI=1S/C16H13N5O2S/c1-22-12-4-6-13(7-5-12)23-10-14-18-19-16-21(14)20-15(24-16)11-3-2-8-17-9-11/h2-9H,10H2,1H3

InChI Key

LBFNXEHLKOTOTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12197426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.786

Distribution Coefficient, logD

1.771

Water Solubility, LogSw

-1.47

Polar Surface Area

59.259

Acid Dissociation Constant (pKa)

27.61

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D727-0477 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

Proline Kinase Library (2105 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D727-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0477?
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What is the minimum amount of D727-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0477
  • 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 D727-0477 available by request