4072-2695 Screening compound: (E)-N'-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-N,N-diethylmethanimidamide

4072-2695 Screening compound: (E)-N'-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-N,N-diethylmethanimidamide
4072-2695 Screening compound: (E)-N'-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-N,N-diethylmethanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4072-2695
(E)-N'-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-N,N-diethylmethanimidamide

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

4072-2695

Molecular Formula

C15H21N3S (C15 H21 N3 S)

Compound Name

(E)-N'-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-N,N-diethylmethanimidamide

IUPAC name

(E)-N'-{3-cyano-4H5H6H7H8H-cyclohepta[b]thiophen-2-yl}-NN-diethylmethanimidamide

SMILES

CCN(CC)/C=N/c(sc1c2CCCCC1)c2C#N

InChI

InChI=1S/C15H21N3S/c1-3-18(4-2)11-17-15-13(10-16)12-8-6-5-7-9-14(12)19-15/h11H,3-9H2,1-2H3

InChI Key

PPVOJXPATLBXCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02992187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.411

Distribution Coefficient, logD

3.407

Water Solubility, LogSw

-3.78

Polar Surface Area

28.132

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

4072-2695 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

CNS targets activity set (6557 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4072-2695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4072-2695?
Check Price and Availability of 4072-2695, 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 4072-2695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4072-2695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4072-2695
  • 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 4072-2695 available by request