8330-0018 Screening compound: 3-amino-N~2~-(2-hydroxyethyl)-7,7-dimethyl-7,8-dihydro-5H-thieno[2,3-b]thiopyrano[3,4-e]pyridine-2-carboxamide

8330-0018 Screening compound: 3-amino-N~2~-(2-hydroxyethyl)-7,7-dimethyl-7,8-dihydro-5H-thieno[2,3-b]thiopyrano[3,4-e]pyridine-2-carboxamide
8330-0018 Screening compound: 3-amino-N~2~-(2-hydroxyethyl)-7,7-dimethyl-7,8-dihydro-5H-thieno[2,3-b]thiopyrano[3,4-e]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8330-0018
3-amino-N~2~-(2-hydroxyethyl)-7,7-dimethyl-7,8-dihydro-5H-thieno[2,3-b]thiopyrano[3,4-e]pyridine-2-carboxamide

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

8330-0018

Molecular Formula

C15H19N3O2S2 (C15 H19 N3 O2 S2)

Compound Name

3-amino-N~2~-(2-hydroxyethyl)-7,7-dimethyl-7,8-dihydro-5H-thieno[2,3-b]thiopyrano[3,4-e]pyridine-2-carboxamide

IUPAC name

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

SMILES

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

InChI

InChI=1S/C15H19N3O2S2/c1-15(2)6-10-8(7-21-15)5-9-11(16)12(22-14(9)18-10)13(20)17-3-4-19/h5,19H,3-4,6-7,16H2,1-2H3,(H,17,20)

InChI Key

BOSBBNFLMKOJRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03289818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.083

Distribution Coefficient, logD

2.083

Water Solubility, LogSw

-2.45

Polar Surface Area

71.948

Acid Dissociation Constant (pKa)

14.93

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

8330-0018 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8330-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8330-0018?
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What is the minimum amount of 8330-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8330-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8330-0018
  • 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 8330-0018 available by request