D221-0210 Screening compound: 3-tert-butyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D221-0210 Screening compound: 3-tert-butyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D221-0210 Screening compound: 3-tert-butyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D221-0210
3-tert-butyl-6-(2,3-dihydro-1,4-benzodioxin-6-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

D221-0210

Molecular Formula

C15H16N4O2S (C15 H16 N4 O2 S)

Compound Name

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

IUPAC name

3-tert-butyl-6-(23-dihydro-14-benzodioxin-6-yl)-[124]triazolo[34-b][134]thiadiazole

SMILES

CC(C)(C)c1nnc2sc(-c(cc3)cc4c3OCCO4)nn12

InChI

InChI=1S/C15H16N4O2S/c1-15(2,3)13-16-17-14-19(13)18-12(22-14)9-4-5-10-11(8-9)21-7-6-20-10/h4-5,8H,6-7H2,1-3H3

InChI Key

OVRUXSCPHSSOBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07394302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.408

Distribution Coefficient, logD

2.408

Water Solubility, LogSw

-2.62

Polar Surface Area

49.816

Acid Dissociation Constant (pKa)

30.26

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D221-0210 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D221-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D221-0210?
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What is the minimum amount of D221-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D221-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D221-0210
  • 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 D221-0210 available by request