8018-6191 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

8018-6191 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
8018-6191 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6191
6-(2H-1,3-benzodioxol-5-yl)-3-(furan-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

8018-6191

Molecular Formula

C14H8N4O3S (C14 H8 N4 O3 S)

Compound Name

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

IUPAC name

6-(2H-13-benzodioxol-5-yl)-3-(furan-2-yl)-[124]triazolo[34-b][134]thiadiazole

SMILES

C1Oc(cc(cc2)-c(s3)nn4c3nnc4-c3ccco3)c2O1

InChI

InChI=1S/C14H8N4O3S/c1-2-10(19-5-1)12-15-16-14-18(12)17-13(22-14)8-3-4-9-11(6-8)21-7-20-9/h1-6H,7H2

InChI Key

YKZDHLPJIKLMDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06794507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.562

Distribution Coefficient, logD

2.562

Water Solubility, LogSw

-2.81

Polar Surface Area

59.415

Acid Dissociation Constant (pKa)

37.89

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8018-6191 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8018-6191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6191?
Check Price and Availability of 8018-6191, 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 8018-6191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6191
  • 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 8018-6191 available by request