3772-5550 Screening compound: 3-amino-N~2~-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide

3772-5550 Screening compound: 3-amino-N~2~-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
3772-5550 Screening compound: 3-amino-N~2~-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3772-5550
3-amino-N~2~-phenyl-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

3772-5550

Molecular Formula

C19H19N3OS (C19 H19 N3 OS)

Compound Name

3-amino-N~2~-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide

IUPAC name

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

SMILES

Nc1c(C(Nc2ccccc2)=O)sc2nc(CCCCC3)c3cc12

InChI

InChI=1S/C19H19N3OS/c20-16-14-11-12-7-3-1-6-10-15(12)22-19(14)24-17(16)18(23)21-13-8-4-2-5-9-13/h2,4-5,8-9,11H,1,3,6-7,10,20H2,(H,21,23)

InChI Key

XLUWDRNECAPOQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01162174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.364

Distribution Coefficient, logD

4.363

Water Solubility, LogSw

-4.44

Polar Surface Area

54.189

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

3772-5550 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 3772-5550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3772-5550?
Check Price and Availability of 3772-5550, 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 3772-5550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3772-5550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3772-5550
  • 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 3772-5550 available by request