D221-0303 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D221-0303 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D221-0303 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D221-0303
6-(2H-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-2-yl)-[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

D221-0303

Molecular Formula

C18H12N4O4S (C18 H12 N4 O4 S)

Compound Name

6-(2H-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

6-(2H-13-benzodioxol-5-yl)-3-(23-dihydro-14-benzodioxin-2-yl)-[124]triazolo[34-b][134]thiadiazole

SMILES

C1Oc(cc(cc2)-c(s3)nn4c3nnc4C3Oc(cccc4)c4OC3)c2O1

InChI

InChI=1S/C18H12N4O4S/c1-2-4-13-11(3-1)23-8-15(26-13)16-19-20-18-22(16)21-17(27-18)10-5-6-12-14(7-10)25-9-24-12/h1-7,15H,8-9H2/t15-/m0/s1

InChI Key

XTHFPGUHKBEENX-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD06590544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.332

Distribution Coefficient, logD

3.332

Water Solubility, LogSw

-3.58

Polar Surface Area

66.274

Acid Dissociation Constant (pKa)

25.01

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

D221-0303 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D221-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D221-0303?
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What is the minimum amount of D221-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D221-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D221-0303
  • 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 D221-0303 available by request