2425-4249 Screening compound: ethyl (2E)-3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]prop-2-enoate

2425-4249 Screening compound: ethyl (2E)-3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]prop-2-enoate
2425-4249 Screening compound: ethyl (2E)-3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2425-4249
ethyl (2E)-3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]prop-2-enoate

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

2425-4249

Molecular Formula

C15H16N2O3S (C15 H16 N2 O3 S)

Compound Name

ethyl (2E)-3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]prop-2-enoate

IUPAC name

ethyl (2E)-3-[(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)carbamoyl]prop-2-enoate

SMILES

CCOC(/C=C/C(Nc(sc1c2CCCC1)c2C#N)=O)=O

InChI

InChI=1S/C15H16N2O3S/c1-2-20-14(19)8-7-13(18)17-15-11(9-16)10-5-3-4-6-12(10)21-15/h7-8H,2-6H2,1H3,(H,17,18)

InChI Key

FQLBRDUXVKJPMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01180193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.116

Distribution Coefficient, logD

0.518

Water Solubility, LogSw

-3.29

Polar Surface Area

60.318

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

2425-4249 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2425-4249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2425-4249?
Check Price and Availability of 2425-4249, 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 2425-4249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2425-4249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2425-4249
  • 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 2425-4249 available by request