3237-0549 Screening compound: ethyl 5'-(3-phenylprop-2-ynamido)-[2,3'-bithiophene]-4'-carboxylate

3237-0549 Screening compound: ethyl 5'-(3-phenylprop-2-ynamido)-[2,3'-bithiophene]-4'-carboxylate
3237-0549 Screening compound: ethyl 5'-(3-phenylprop-2-ynamido)-[2,3'-bithiophene]-4'-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3237-0549
ethyl 5'-(3-phenylprop-2-ynamido)-[2,3'-bithiophene]-4'-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

3237-0549

Molecular Formula

C20H15NO3S2 (C20 H15 NO3 S2)

Compound Name

ethyl 5'-(3-phenylprop-2-ynamido)-[2,3'-bithiophene]-4'-carboxylate

IUPAC name

ethyl 5'-(3-phenylprop-2-ynamido)-[23'-bithiophene]-4'-carboxylate

SMILES

CCOC(c1c(NC(C#Cc2ccccc2)=O)scc1-c1cccs1)=O

InChI

InChI=1S/C20H15NO3S2/c1-2-24-20(23)18-15(16-9-6-12-25-16)13-26-19(18)21-17(22)11-10-14-7-4-3-5-8-14/h3-9,12-13H,2H2,1H3,(H,21,22)

InChI Key

DMIZRSQYKMPMAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01413180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.307

Distribution Coefficient, logD

5.302

Water Solubility, LogSw

-5.41

Polar Surface Area

44.411

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-12.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

3237-0549 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3237-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3237-0549?
Check Price and Availability of 3237-0549, 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 3237-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3237-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3237-0549
  • 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 3237-0549 available by request