D064-0294 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D064-0294 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D064-0294 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D064-0294
3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-[(2-methylphenoxy)methyl]-[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

D064-0294

Molecular Formula

C19H16N4O3S (C19 H16 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1OCc(s1)nn2c1nnc2C1Oc(cccc2)c2OC1

InChI

InChI=1S/C19H16N4O3S/c1-12-6-2-3-7-13(12)25-11-17-22-23-18(20-21-19(23)27-17)16-10-24-14-8-4-5-9-15(14)26-16/h2-9,16H,10-11H2,1H3

InChI Key

HSYQSTFLUAQHKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06590401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.638

Distribution Coefficient, logD

3.638

Water Solubility, LogSw

-3.86

Polar Surface Area

57.240

Acid Dissociation Constant (pKa)

25.01

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with D064-0294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0294?
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What is the minimum amount of D064-0294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0294
  • 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 D064-0294 available by request