4072-2708 Screening compound: 1,2,3,4,5,8,9,10,11,12-decahydrocyclohepta[b]cyclohepta[4,5]thieno[3,2-e]pyridin-13-amine

4072-2708 Screening compound: 1,2,3,4,5,8,9,10,11,12-decahydrocyclohepta[b]cyclohepta[4,5]thieno[3,2-e]pyridin-13-amine
4072-2708 Screening compound: 1,2,3,4,5,8,9,10,11,12-decahydrocyclohepta[b]cyclohepta[4,5]thieno[3,2-e]pyridin-13-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4072-2708
1,2,3,4,5,8,9,10,11,12-decahydrocyclohepta[b]cyclohepta[4,5]thieno[3,2-e]pyridin-13-amine

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

4072-2708

Molecular Formula

C17H22N2S (C17 H22 N2 S)

Compound Name

1,2,3,4,5,8,9,10,11,12-decahydrocyclohepta[b]cyclohepta[4,5]thieno[3,2-e]pyridin-13-amine

IUPAC name

19-thia-2-azatetracyclo[9.8.0.0^{39}.0^{1218}]nonadeca-1(11)2912(18)-tetraen-10-amine

SMILES

Nc1c(c(CCCCC2)c2s2)c2nc2c1CCCCC2

InChI

InChI=1S/C17H22N2S/c18-16-11-7-3-1-5-9-13(11)19-17-15(16)12-8-4-2-6-10-14(12)20-17/h1-10H2,(H2,18,19)

InChI Key

GMZKPSNHHJCDHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02921465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.44

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.299

Distribution Coefficient, logD

4.234

Water Solubility, LogSw

-5.51

Polar Surface Area

31.349

Acid Dissociation Constant (pKa)

19.14

Base Dissociation Constant (pKb)

8.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

4072-2708 in Drug Discovery

Included in Screening Libraries

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

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4072-2708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4072-2708?
Check Price and Availability of 4072-2708, 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 4072-2708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4072-2708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4072-2708
  • 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 4072-2708 available by request