4085-0063 Screening compound: 3-amino-N~2~-(2-naphthyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide

4085-0063 Screening compound: 3-amino-N~2~-(2-naphthyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
4085-0063 Screening compound: 3-amino-N~2~-(2-naphthyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4085-0063
3-amino-N~2~-(2-naphthyl)-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

4085-0063

Molecular Formula

C23H21N3OS (C23 H21 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

Nc1c(C(Nc2cc3ccccc3cc2)=O)sc2nc(CCCCC3)c3cc12

InChI

InChI=1S/C23H21N3OS/c24-20-18-13-16-8-2-1-3-9-19(16)26-23(18)28-21(20)22(27)25-17-11-10-14-6-4-5-7-15(14)12-17/h4-7,10-13H,1-3,8-9,24H2,(H,25,27)

InChI Key

KSOLAGYMXZLXFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01994728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.51

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

5.772

Distribution Coefficient, logD

5.771

Water Solubility, LogSw

-6.78

Polar Surface Area

53.917

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

4085-0063 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4085-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4085-0063?
Check Price and Availability of 4085-0063, 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 4085-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4085-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4085-0063
  • 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 4085-0063 available by request