3344-1439 Screening compound: ethyl 2-(2-{[3-(morpholin-4-yl)propyl]amino}acetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

3344-1439 Screening compound: ethyl 2-(2-{[3-(morpholin-4-yl)propyl]amino}acetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
3344-1439 Screening compound: ethyl 2-(2-{[3-(morpholin-4-yl)propyl]amino}acetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3344-1439
ethyl 2-(2-{[3-(morpholin-4-yl)propyl]amino}acetamido)-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

3344-1439

Molecular Formula

C21H33N3O4S (C21 H33 N3 O4 S)

Compound Name

ethyl 2-(2-{[3-(morpholin-4-yl)propyl]amino}acetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-(2-{[3-(morpholin-4-yl)propyl]amino}acetamido)-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CNCCCN2CCOCC2)=O)sc2c1CCCCC2)=O

InChI

InChI=1S/C21H33N3O4S/c1-2-28-21(26)19-16-7-4-3-5-8-17(16)29-20(19)23-18(25)15-22-9-6-10-24-11-13-27-14-12-24/h22H,2-15H2,1H3,(H,23,25)

InChI Key

LGCRDGQQXXIVKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927662

Chemical and Physical Properties

Saltdata

2HOOCCOOH

Molecular Weight

423.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.011

Distribution Coefficient, logD

-0.062

Water Solubility, LogSw

-2.31

Polar Surface Area

67.686

Acid Dissociation Constant (pKa)

5.33

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

3344-1439 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3344-1439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3344-1439?
Check Price and Availability of 3344-1439, 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 3344-1439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3344-1439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3344-1439
  • 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 3344-1439 available by request