D064-0309 Screening compound: 6-(1-benzofuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D064-0309 Screening compound: 6-(1-benzofuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D064-0309 Screening compound: 6-(1-benzofuran-2-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 D064-0309
6-(1-benzofuran-2-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

D064-0309

Molecular Formula

C19H12N4O3S (C19 H12 N4 O3 S)

Compound Name

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

IUPAC name

6-(1-benzofuran-2-yl)-3-(23-dihydro-14-benzodioxin-2-yl)-[124]triazolo[34-b][134]thiadiazole

SMILES

C1Oc(cccc2)c2OC1c1nnc2sc(-c3cc(cccc4)c4o3)nn12

InChI

InChI=1S/C19H12N4O3S/c1-2-6-12-11(5-1)9-15(25-12)18-22-23-17(20-21-19(23)27-18)16-10-24-13-7-3-4-8-14(13)26-16/h1-9,16H,10H2/t16-/m0/s1

InChI Key

TWKBKVCJMYBZGY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD06590407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.4

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

4.227

Distribution Coefficient, logD

4.227

Water Solubility, LogSw

-4.40

Polar Surface Area

57.452

Acid Dissociation Constant (pKa)

25.01

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

D064-0309 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D064-0309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0309?
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What is the minimum amount of D064-0309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0309
  • 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 D064-0309 available by request