T163-0384 Screening compound: 3-ethyl-7-[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine

T163-0384 Screening compound: 3-ethyl-7-[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
T163-0384 Screening compound: 3-ethyl-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 T163-0384
3-ethyl-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

T163-0384

Molecular Formula

C16H22N4S (C16 H22 N4 S)

Compound Name

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

SMILES

CCc1nnc2n1CCN(Cc1csc3c1CCCC3)C2

InChI

InChI=1S/C16H22N4S/c1-2-15-17-18-16-10-19(7-8-20(15)16)9-12-11-21-14-6-4-3-5-13(12)14/h11H,2-10H2,1H3

InChI Key

ZHMQIILGZLDPRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.316

Distribution Coefficient, logD

0.911

Water Solubility, LogSw

-2.11

Polar Surface Area

30.592

Acid Dissociation Constant (pKa)

20.18

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

T163-0384 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 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
  • 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
Targets:
  • Others
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T163-0384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T163-0384?
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What is the minimum amount of T163-0384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T163-0384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T163-0384
  • 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 T163-0384 available by request