3892-0072 Screening compound: 3-amino-N~2~-(2,3-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide

3892-0072 Screening compound: 3-amino-N~2~-(2,3-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
3892-0072 Screening compound: 3-amino-N~2~-(2,3-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3892-0072
3-amino-N~2~-(2,3-dimethylphenyl)-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

3892-0072

Molecular Formula

C21H23N3OS (C21 H23 N3 OS)

Compound Name

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

IUPAC name

6-amino-N-(23-dimethylphenyl)-4-thia-2-azatricyclo[7.5.0.0^{37}]tetradeca-13(7)58-tetraene-5-carboxamide

SMILES

Cc1cccc(NC(c(sc2nc(CCCCC3)c3cc22)c2N)=O)c1C

InChI

InChI=1S/C21H23N3OS/c1-12-7-6-10-16(13(12)2)23-20(25)19-18(22)15-11-14-8-4-3-5-9-17(14)24-21(15)26-19/h6-7,10-11H,3-5,8-9,22H2,1-2H3,(H,23,25)

InChI Key

AIRXSPPQOYAOJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02028989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.5

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

5.385

Distribution Coefficient, logD

5.384

Water Solubility, LogSw

-5.33

Polar Surface Area

53.491

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3892-0072 in Drug Discovery

Included in Screening Libraries

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
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3892-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3892-0072?
Check Price and Availability of 3892-0072, 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 3892-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3892-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3892-0072
  • 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 3892-0072 available by request