3261-0759 Screening compound: ethyl 2-(2-chlorobenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

3261-0759 Screening compound: ethyl 2-(2-chlorobenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
3261-0759 Screening compound: ethyl 2-(2-chlorobenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3261-0759
ethyl 2-(2-chlorobenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

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

3261-0759

Molecular Formula

C19H20ClNO3S (C19 H20 ClNO3 S)

Compound Name

ethyl 2-(2-chlorobenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-(2-chlorobenzamido)-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cccc2)c2Cl)=O)sc2c1CCCCC2)=O

InChI

InChI=1S/C19H20ClNO3S/c1-2-24-19(23)16-13-9-4-3-5-11-15(13)25-18(16)21-17(22)12-8-6-7-10-14(12)20/h6-8,10H,2-5,9,11H2,1H3,(H,21,22)

InChI Key

XCAXDQRYTMFPRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00782619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.091

Distribution Coefficient, logD

0.516

Water Solubility, LogSw

-5.36

Polar Surface Area

44.129

Acid Dissociation Constant (pKa)

2.83

Base Dissociation Constant (pKb)

-6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

3261-0759 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3261-0759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3261-0759?
Check Price and Availability of 3261-0759, 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 3261-0759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3261-0759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3261-0759
  • 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 3261-0759 available by request