4083-0049 Screening compound: 3-amino-N~2~-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide

4083-0049 Screening compound: 3-amino-N~2~-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
4083-0049 Screening compound: 3-amino-N~2~-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4083-0049
3-amino-N~2~-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[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

4083-0049

Molecular Formula

C17H14FN3OS (C17 H14 FN3 OS)

Compound Name

3-amino-N~2~-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide

IUPAC name

6-amino-N-(2-fluorophenyl)-4-thia-2-azatricyclo[7.3.0.0^{37}]dodeca-13(7)58-tetraene-5-carboxamide

SMILES

Nc1c(C(Nc(cccc2)c2F)=O)sc2nc(CCC3)c3cc12

InChI

InChI=1S/C17H14FN3OS/c18-11-5-1-2-6-13(11)20-16(22)15-14(19)10-8-9-4-3-7-12(9)21-17(10)23-15/h1-2,5-6,8H,3-4,7,19H2,(H,20,22)

InChI Key

TWPMYDPFMCHTOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02028971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.38

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

3.669

Distribution Coefficient, logD

3.668

Water Solubility, LogSw

-4.28

Polar Surface Area

53.526

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

4083-0049 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4083-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4083-0049?
Check Price and Availability of 4083-0049, 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 4083-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4083-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4083-0049
  • 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 4083-0049 available by request