7331-0033 Screening compound: 3-amino-7,7-dimethyl-7,8-dihydro-5H-thieno[2,3-b]thiopyrano[3,4-e]pyridine-2-carboxylic acid

7331-0033 Screening compound: 3-amino-7,7-dimethyl-7,8-dihydro-5H-thieno[2,3-b]thiopyrano[3,4-e]pyridine-2-carboxylic acid
7331-0033 Screening compound: 3-amino-7,7-dimethyl-7,8-dihydro-5H-thieno[2,3-b]thiopyrano[3,4-e]pyridine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7331-0033
3-amino-7,7-dimethyl-7,8-dihydro-5H-thieno[2,3-b]thiopyrano[3,4-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

7331-0033

Molecular Formula

C13H14N2O2S2 (C13 H14 N2 O2 S2)

Compound Name

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

IUPAC name

6-amino-1212-dimethyl-411-dithia-2-azatricyclo[7.4.0.0^{37}]trideca-1(9)257-tetraene-5-carboxylic acid

SMILES

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

InChI

InChI=1S/C13H14N2O2S2/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

WHZFAKWATCCZPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03299133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.743

Distribution Coefficient, logD

-2.261

Water Solubility, LogSw

-2.67

Polar Surface Area

59.175

Acid Dissociation Constant (pKa)

3.02

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

7331-0033 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Antiviral Library (67538 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7331-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7331-0033?
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What is the minimum amount of 7331-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7331-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7331-0033
  • 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 7331-0033 available by request