D727-0111 Screening compound: 3-(2-methylfuran-3-yl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D727-0111 Screening compound: 3-(2-methylfuran-3-yl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D727-0111 Screening compound: 3-(2-methylfuran-3-yl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0111
3-(2-methylfuran-3-yl)-6-[(3-methylphenoxy)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

D727-0111

Molecular Formula

C16H14N4O2S (C16 H14 N4 O2 S)

Compound Name

3-(2-methylfuran-3-yl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

3-(2-methylfuran-3-yl)-6-[(3-methylphenoxy)methyl]-[124]triazolo[34-b][134]thiadiazole

SMILES

Cc(occ1)c1-c1nnc2sc(COc3cc(C)ccc3)nn12

InChI

InChI=1S/C16H14N4O2S/c1-10-4-3-5-12(8-10)22-9-14-19-20-15(17-18-16(20)23-14)13-6-7-21-11(13)2/h3-8H,9H2,1-2H3

InChI Key

NHEHBJYXCHWCMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07396841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.115

Distribution Coefficient, logD

3.115

Water Solubility, LogSw

-3.14

Polar Surface Area

49.949

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D727-0111 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D727-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0111?
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What is the minimum amount of D727-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0111
  • 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 D727-0111 available by request