8020-3849 Screening compound: 6-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

8020-3849 Screening compound: 6-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
8020-3849 Screening compound: 6-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-3849
6-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-thienyl)[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

8020-3849

Molecular Formula

C16H12N4O3S2 (C16 H12 N4 O3 S2)

Compound Name

6-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

6-(8-methoxy-23-dihydro-14-benzodioxin-6-yl)-3-(thiophen-3-yl)-[124]triazolo[34-b][134]thiadiazole

SMILES

COc1cc(-c(s2)nn3c2nnc3-c2cscc2)cc2c1OCCO2

InChI

InChI=1S/C16H12N4O3S2/c1-21-11-6-10(7-12-13(11)23-4-3-22-12)15-19-20-14(9-2-5-24-8-9)17-18-16(20)25-15/h2,5-8H,3-4H2,1H3

InChI Key

ADCJODGWKNNRKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25976363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.319

Distribution Coefficient, logD

2.319

Water Solubility, LogSw

-2.72

Polar Surface Area

57.878

Acid Dissociation Constant (pKa)

30.26

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

8020-3849 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8020-3849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-3849?
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What is the minimum amount of 8020-3849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-3849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-3849
  • 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 8020-3849 available by request