T163-0128 Screening compound: 3-methyl-7-[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine

T163-0128 Screening compound: 3-methyl-7-[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
T163-0128 Screening compound: 3-methyl-7-[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound T163-0128
3-methyl-7-[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]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

T163-0128

Molecular Formula

C15H20N4S (C15 H20 N4 S)

Compound Name

3-methyl-7-[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine

IUPAC name

3-methyl-7-[(4567-tetrahydro-1-benzothiophen-3-yl)methyl]-5H6H7H8H-[124]triazolo[43-a]pyrazine

SMILES

Cc1nnc2n1CCN(Cc1csc3c1CCCC3)C2

InChI

InChI=1S/C15H20N4S/c1-11-16-17-15-9-18(6-7-19(11)15)8-12-10-20-14-5-3-2-4-13(12)14/h10H,2-9H2,1H3

InChI Key

FWHGKKHJIIKAPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.686

Distribution Coefficient, logD

1.000

Water Solubility, LogSw

-1.58

Polar Surface Area

30.393

Acid Dissociation Constant (pKa)

19.60

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

T163-0128 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS BBB Library (22607 compounds)

Fragments Library (11262 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

TLR-8 ligands Library (674 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Female
  • Skin
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Fragments
  • Cyclic compounds
Targets:
  • Others
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with T163-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T163-0128?
Check Price and Availability of T163-0128, 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 T163-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T163-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T163-0128
  • 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 T163-0128 available by request