3683-0650 Screening compound: 2-{[4-(2-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide

3683-0650 Screening compound: 2-{[4-(2-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
3683-0650 Screening compound: 2-{[4-(2-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3683-0650
2-{[4-(2-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide

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

3683-0650

Molecular Formula

C20H19N5O2S2 (C20 H19 N5 O2 S2)

Compound Name

2-{[4-(2-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide

IUPAC name

2-{[7-(2-methylphenyl)-8-oxo-16-thia-2457-tetraazatetracyclo[7.7.0.0^{26}.0^{1015}]hexadeca-1(9)3510(15)-tetraen-3-yl]sulfanyl}acetamide

SMILES

Cc(cccc1)c1N(c(n1-c2c3c(CCCC4)c4s2)nnc1SCC(N)=O)C3=O

InChI

InChI=1S/C20H19N5O2S2/c1-11-6-2-4-8-13(11)24-17(27)16-12-7-3-5-9-14(12)29-18(16)25-19(24)22-23-20(25)28-10-15(21)26/h2,4,6,8H,3,5,7,9-10H2,1H3,(H2,21,26)

InChI Key

JBQMYJMBBVCVJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02989333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.045

Distribution Coefficient, logD

3.045

Water Solubility, LogSw

-3.45

Polar Surface Area

72.431

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

3683-0650 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3683-0650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3683-0650?
Check Price and Availability of 3683-0650, 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 3683-0650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3683-0650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3683-0650
  • 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 3683-0650 available by request