2434-0062 Screening compound: 3-amino-N~2~-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide

2434-0062 Screening compound: 3-amino-N~2~-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
2434-0062 Screening compound: 3-amino-N~2~-[3-(trifluoromethyl)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 2434-0062
3-amino-N~2~-[3-(trifluoromethyl)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

2434-0062

Molecular Formula

C20H18F3N3OS (C20 H18 F3 N3 OS)

Compound Name

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

IUPAC name

6-amino-N-[3-(trifluoromethyl)phenyl]-4-thia-2-azatricyclo[7.5.0.0^{37}]tetradeca-13(7)58-tetraene-5-carboxamide

SMILES

Nc1c(C(Nc2cc(C(F)(F)F)ccc2)=O)sc2nc(CCCCC3)c3cc12

InChI

InChI=1S/C20H18F3N3OS/c21-20(22,23)12-6-4-7-13(10-12)25-18(27)17-16(24)14-9-11-5-2-1-3-8-15(11)26-19(14)28-17/h4,6-7,9-10H,1-3,5,8,24H2,(H,25,27)

InChI Key

DVEDQHNNXVVOSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00712423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.599

Distribution Coefficient, logD

5.597

Water Solubility, LogSw

-5.97

Polar Surface Area

54.189

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

2434-0062 in Drug Discovery

Included in Screening Libraries

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

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2434-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2434-0062?
Check Price and Availability of 2434-0062, 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 2434-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2434-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2434-0062
  • 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 2434-0062 available by request