D727-0091 Screening compound: 2-{2-[3-(pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl}-2,3-dihydro-1H-isoindole-1,3-dione

D727-0091 Screening compound: 2-{2-[3-(pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl}-2,3-dihydro-1H-isoindole-1,3-dione
D727-0091 Screening compound: 2-{2-[3-(pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl}-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0091
2-{2-[3-(pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl}-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

D727-0091

Molecular Formula

C18H12N6O2S (C18 H12 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c2cccc1)N(CCc(s1)nn3c1nnc3-c1cnccc1)C2=O

InChI

InChI=1S/C18H12N6O2S/c25-16-12-5-1-2-6-13(12)17(26)23(16)9-7-14-22-24-15(20-21-18(24)27-14)11-4-3-8-19-10-11/h1-6,8,10H,7,9H2

InChI Key

VFSWKXUOMOHXLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06793917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.375

Distribution Coefficient, logD

1.375

Water Solubility, LogSw

-1.74

Polar Surface Area

73.238

Acid Dissociation Constant (pKa)

28.00

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D727-0091 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D727-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0091?
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What is the minimum amount of D727-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0091
  • 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 D727-0091 available by request