4083-0078 Screening compound: (3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-2-yl)(phenyl)methanone

4083-0078 Screening compound: (3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-2-yl)(phenyl)methanone
4083-0078 Screening compound: (3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-2-yl)(phenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4083-0078
(3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-2-yl)(phenyl)methanone

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

4083-0078

Molecular Formula

C19H18N2OS (C19 H18 N2 OS)

Compound Name

(3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-2-yl)(phenyl)methanone

IUPAC name

5-benzoyl-4-thia-2-azatricyclo[7.5.0.0^{37}]tetradeca-13(7)58-tetraen-6-amine

SMILES

Nc1c(C(c2ccccc2)=O)sc2nc(CCCCC3)c3cc12

InChI

InChI=1S/C19H18N2OS/c20-16-14-11-13-9-5-2-6-10-15(13)21-19(14)23-18(16)17(22)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10,20H2

InChI Key

FFEJFZLYSMGADE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00854251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.889

Distribution Coefficient, logD

4.887

Water Solubility, LogSw

-4.98

Polar Surface Area

44.565

Acid Dissociation Constant (pKa)

19.66

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

4083-0078 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • 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 4083-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4083-0078?
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What is the minimum amount of 4083-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4083-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4083-0078
  • 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 4083-0078 available by request