4365-0056 Screening compound: 3-amino-N~2~-(4-phenyl-1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide

4365-0056 Screening compound: 3-amino-N~2~-(4-phenyl-1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
4365-0056 Screening compound: 3-amino-N~2~-(4-phenyl-1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4365-0056
3-amino-N~2~-(4-phenyl-1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-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

4365-0056

Molecular Formula

C22H20N4OS2 (C22 H20 N4 OS2)

Compound Name

3-amino-N~2~-(4-phenyl-1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide

IUPAC name

6-amino-N-(4-phenyl-13-thiazol-2-yl)-4-thia-2-azatricyclo[7.5.0.0^{37}]tetradeca-13(7)58-tetraene-5-carboxamide

SMILES

Nc1c(C(Nc2nc(-c3ccccc3)cs2)=O)sc2nc(CCCCC3)c3cc12

InChI

InChI=1S/C22H20N4OS2/c23-18-15-11-14-9-5-2-6-10-16(14)24-21(15)29-19(18)20(27)26-22-25-17(12-28-22)13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10,23H2,(H,25,26,27)

InChI Key

SUSBBLWJGDCNFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01962621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.068

Distribution Coefficient, logD

6.067

Water Solubility, LogSw

-5.97

Polar Surface Area

63.964

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

4365-0056 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Nucleic Acid Ligands (8311 compounds)

Regenerative Medicine Focused Library (23016 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4365-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4365-0056?
Check Price and Availability of 4365-0056, 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 4365-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4365-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4365-0056
  • 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 4365-0056 available by request