4408-0569 Screening compound: 5-benzyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,3,4]tetraazolo[1,5-c]pyrimidine

4408-0569 Screening compound: 5-benzyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,3,4]tetraazolo[1,5-c]pyrimidine
4408-0569 Screening compound: 5-benzyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,3,4]tetraazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4408-0569
5-benzyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,3,4]tetraazolo[1,5-c]pyrimidine

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

4408-0569

Molecular Formula

C17H15N5S (C17 H15 N5 S)

Compound Name

5-benzyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,3,4]tetraazolo[1,5-c]pyrimidine

IUPAC name

7-benzyl-10-thia-34568-pentaazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaene

SMILES

C(c1ccccc1)c1nc(sc2c3CCCC2)c3c2nnnn12

InChI

InChI=1S/C17H15N5S/c1-2-6-11(7-3-1)10-14-18-17-15(16-19-20-21-22(14)16)12-8-4-5-9-13(12)23-17/h1-3,6-7H,4-5,8-10H2

InChI Key

PPKRTFLGFONTEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02738003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.548

Distribution Coefficient, logD

3.548

Water Solubility, LogSw

-3.81

Polar Surface Area

48.546

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

4408-0569 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 4408-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4408-0569?
Check Price and Availability of 4408-0569, 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 4408-0569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4408-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4408-0569
  • 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 4408-0569 available by request