2389-0681 Screening compound: ethyl 2-[(2E)-3-[3-methoxy-4-(pentyloxy)phenyl]prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

2389-0681 Screening compound: ethyl 2-[(2E)-3-[3-methoxy-4-(pentyloxy)phenyl]prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
2389-0681 Screening compound: ethyl 2-[(2E)-3-[3-methoxy-4-(pentyloxy)phenyl]prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2389-0681
ethyl 2-[(2E)-3-[3-methoxy-4-(pentyloxy)phenyl]prop-2-enamido]-4H,5H,6H-cyclopenta[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

2389-0681

Molecular Formula

C25H31NO5S (C25 H31 NO5 S)

Compound Name

ethyl 2-[(2E)-3-[3-methoxy-4-(pentyloxy)phenyl]prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-[(2E)-3-[3-methoxy-4-(pentyloxy)phenyl]prop-2-enamido]-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CCCCCOc(ccc(/C=C/C(Nc1c(C(OCC)=O)c(CCC2)c2s1)=O)c1)c1OC

InChI

InChI=1S/C25H31NO5S/c1-4-6-7-15-31-19-13-11-17(16-20(19)29-3)12-14-22(27)26-24-23(25(28)30-5-2)18-9-8-10-21(18)32-24/h11-14,16H,4-10,15H2,1-3H3,(H,26,27)

InChI Key

BAZQUXMJFOJRPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01847473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.265

Distribution Coefficient, logD

4.068

Water Solubility, LogSw

-5.33

Polar Surface Area

59.086

Acid Dissociation Constant (pKa)

5.21

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

2389-0681 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2389-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2389-0681?
Check Price and Availability of 2389-0681, 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 2389-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2389-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2389-0681
  • 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 2389-0681 available by request