D064-0311 Screening compound: bis(2,3-dihydro-1,4-benzodioxin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D064-0311 Screening compound: bis(2,3-dihydro-1,4-benzodioxin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D064-0311 Screening compound: bis(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 D064-0311
bis(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

D064-0311

Molecular Formula

C19H14N4O4S (C19 H14 N4 O4 S)

Compound Name

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

IUPAC name

bis(23-dihydro-14-benzodioxin-2-yl)-[124]triazolo[34-b][134]thiadiazole

SMILES

C1Oc(cccc2)c2OC1c1nnc2sc(C3Oc(cccc4)c4OC3)nn12

InChI

InChI=1S/C19H14N4O4S/c1-3-7-13-11(5-1)24-9-15(26-13)17-20-21-19-23(17)22-18(28-19)16-10-25-12-6-2-4-8-14(12)27-16/h1-8,15-16H,9-10H2

InChI Key

WCSZNZFRPAUIAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06590409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.41

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

3.199

Distribution Coefficient, logD

3.199

Water Solubility, LogSw

-3.30

Polar Surface Area

64.596

Acid Dissociation Constant (pKa)

25.01

Base Dissociation Constant (pKb)

-3.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.10

D064-0311 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D064-0311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0311?
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What is the minimum amount of D064-0311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0311
  • 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 D064-0311 available by request