D727-0479 Screening compound: 2-({3-[(4-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}methyl)-2,3-dihydro-1H-isoindole-1,3-dione

D727-0479 Screening compound: 2-({3-[(4-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}methyl)-2,3-dihydro-1H-isoindole-1,3-dione
D727-0479 Screening compound: 2-({3-[(4-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}methyl)-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0479
2-({3-[(4-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}methyl)-2,3-dihydro-1H-isoindole-1,3-dione

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

D727-0479

Molecular Formula

C20H15N5O4S (C20 H15 N5 O4 S)

Compound Name

2-({3-[(4-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}methyl)-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-({3-[(4-methoxyphenoxy)methyl]-[124]triazolo[34-b][134]thiadiazol-6-yl}methyl)-23-dihydro-1H-isoindole-13-dione

SMILES

COc(cc1)ccc1OCc1nnc2sc(CN(C(c3c4cccc3)=O)C4=O)nn12

InChI

InChI=1S/C20H15N5O4S/c1-28-12-6-8-13(9-7-12)29-11-16-21-22-20-25(16)23-17(30-20)10-24-18(26)14-4-2-3-5-15(14)19(24)27/h2-9H,10-11H2,1H3

InChI Key

QLEPJSBOZKQWLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09184705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.039

Distribution Coefficient, logD

2.039

Water Solubility, LogSw

-2.80

Polar Surface Area

79.760

Acid Dissociation Constant (pKa)

27.61

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D727-0479 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Nervous system
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D727-0479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0479?
Check Price and Availability of D727-0479, 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 D727-0479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0479
  • 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 D727-0479 available by request