8330-0006 Screening compound: 3-amino-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylic acid

8330-0006 Screening compound: 3-amino-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylic acid
8330-0006 Screening compound: 3-amino-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8330-0006
3-amino-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylic acid

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

8330-0006

Molecular Formula

C13H14N2O3S (C13 H14 N2 O3 S)

Compound Name

3-amino-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylic acid

IUPAC name

6-amino-1212-dimethyl-11-oxa-4-thia-2-azatricyclo[7.4.0.0^{37}]trideca-1(9)257-tetraene-5-carboxylic acid

SMILES

CC(C)(C1)OCc(cc23)c1nc2sc(C(O)=O)c3N

InChI

InChI=1S/C13H14N2O3S/c1-13(2)4-8-6(5-18-13)3-7-9(14)10(12(16)17)19-11(7)15-8/h3H,4-5,14H2,1-2H3,(H,16,17)

InChI Key

DNGPWAMYDLWYIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01563394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.011

Distribution Coefficient, logD

-2.992

Water Solubility, LogSw

-2.13

Polar Surface Area

66.872

Acid Dissociation Constant (pKa)

3.02

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

8330-0006 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8330-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8330-0006?
Check Price and Availability of 8330-0006, 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 8330-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8330-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8330-0006
  • 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 8330-0006 available by request