8018-4852 Screening compound: 2-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pyrazine

8018-4852 Screening compound: 2-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pyrazine
8018-4852 Screening compound: 2-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4852
2-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pyrazine

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

8018-4852

Molecular Formula

C15H12N6O2S (C15 H12 N6 O2 S)

Compound Name

2-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pyrazine

IUPAC name

2-[6-(34-dimethoxyphenyl)-[124]triazolo[34-b][134]thiadiazol-3-yl]pyrazine

SMILES

COc(ccc(-c(s1)nn2c1nnc2-c1nccnc1)c1)c1OC

InChI

InChI=1S/C15H12N6O2S/c1-22-11-4-3-9(7-12(11)23-2)14-20-21-13(18-19-15(21)24-14)10-8-16-5-6-17-10/h3-8H,1-2H3

InChI Key

WLHWPTMCTTXQKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07403161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.306

Distribution Coefficient, logD

1.306

Water Solubility, LogSw

-1.62

Polar Surface Area

67.548

Acid Dissociation Constant (pKa)

32.86

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8018-4852 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-4852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4852?
Check Price and Availability of 8018-4852, 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 8018-4852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4852
  • 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 8018-4852 available by request