8330-0022 Screening compound: ethyl 3-amino-7-ethyl-7-methyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate

8330-0022 Screening compound: ethyl 3-amino-7-ethyl-7-methyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate
8330-0022 Screening compound: ethyl 3-amino-7-ethyl-7-methyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8330-0022
ethyl 3-amino-7-ethyl-7-methyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate

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

8330-0022

Molecular Formula

C16H20N2O3S (C16 H20 N2 O3 S)

Compound Name

ethyl 3-amino-7-ethyl-7-methyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate

IUPAC name

ethyl 6-amino-12-ethyl-12-methyl-11-oxa-4-thia-2-azatricyclo[7.4.0.0^{37}]trideca-1(9)257-tetraene-5-carboxylate

SMILES

CCC(C)(C1)OCc(cc23)c1nc2sc(C(OCC)=O)c3N

InChI

InChI=1S/C16H20N2O3S/c1-4-16(3)7-11-9(8-21-16)6-10-12(17)13(15(19)20-5-2)22-14(10)18-11/h6H,4-5,7-8,17H2,1-3H3/t16-/m0/s1

InChI Key

OQOQNULQSFFCLL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03687753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.572

Distribution Coefficient, logD

3.560

Water Solubility, LogSw

-3.72

Polar Surface Area

59.412

Acid Dissociation Constant (pKa)

17.36

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8330-0022 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8330-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8330-0022?
Check Price and Availability of 8330-0022, 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 8330-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8330-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8330-0022
  • 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 8330-0022 available by request