D221-0276 Screening compound: 3-tert-butyl-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D221-0276 Screening compound: 3-tert-butyl-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D221-0276 Screening compound: 3-tert-butyl-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D221-0276
3-tert-butyl-6-[(2-ethoxyphenoxy)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

D221-0276

Molecular Formula

C16H20N4O2S (C16 H20 N4 O2 S)

Compound Name

3-tert-butyl-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

3-tert-butyl-6-[(2-ethoxyphenoxy)methyl]-[124]triazolo[34-b][134]thiadiazole

SMILES

CCOc(cccc1)c1OCc(s1)nn2c1nnc2C(C)(C)C

InChI

InChI=1S/C16H20N4O2S/c1-5-21-11-8-6-7-9-12(11)22-10-13-19-20-14(16(2,3)4)17-18-15(20)23-13/h6-9H,5,10H2,1-4H3

InChI Key

INAKOZNHWVMAJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07394311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.193

Distribution Coefficient, logD

3.193

Water Solubility, LogSw

-3.14

Polar Surface Area

49.284

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with D221-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D221-0276?
Check Price and Availability of D221-0276, 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 D221-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D221-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D221-0276
  • 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 D221-0276 available by request