D221-0187 Screening compound: 6-[(1E)-2-(4-methoxyphenyl)ethenyl]-3-(propan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D221-0187 Screening compound: 6-[(1E)-2-(4-methoxyphenyl)ethenyl]-3-(propan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D221-0187 Screening compound: 6-[(1E)-2-(4-methoxyphenyl)ethenyl]-3-(propan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D221-0187
6-[(1E)-2-(4-methoxyphenyl)ethenyl]-3-(propan-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

D221-0187

Molecular Formula

C15H16N4OS (C15 H16 N4 OS)

Compound Name

6-[(1E)-2-(4-methoxyphenyl)ethenyl]-3-(propan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

6-[(1E)-2-(4-methoxyphenyl)ethenyl]-3-(propan-2-yl)-[124]triazolo[34-b][134]thiadiazole

SMILES

CC(C)c1nnc2sc(/C=C/c(cc3)ccc3OC)nn12

InChI

InChI=1S/C15H16N4OS/c1-10(2)14-16-17-15-19(14)18-13(21-15)9-6-11-4-7-12(20-3)8-5-11/h4-10H,1-3H3

InChI Key

SNDQSZALOHJINW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06595861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.143

Distribution Coefficient, logD

3.143

Water Solubility, LogSw

-3.23

Polar Surface Area

42.032

Acid Dissociation Constant (pKa)

22.28

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D221-0187 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D221-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D221-0187?
Check Price and Availability of D221-0187, 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 D221-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D221-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D221-0187
  • 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 D221-0187 available by request