3643-2985 Screening compound: ethyl 2-(2,2-dimethylpropanamido)-5-phenylthiophene-3-carboxylate

3643-2985 Screening compound: ethyl 2-(2,2-dimethylpropanamido)-5-phenylthiophene-3-carboxylate
3643-2985 Screening compound: ethyl 2-(2,2-dimethylpropanamido)-5-phenylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-2985
ethyl 2-(2,2-dimethylpropanamido)-5-phenylthiophene-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

3643-2985

Molecular Formula

C18H21NO3S (C18 H21 NO3 S)

Compound Name

ethyl 2-(2,2-dimethylpropanamido)-5-phenylthiophene-3-carboxylate

IUPAC name

ethyl 2-(22-dimethylpropanamido)-5-phenylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(C)(C)C)=O)sc(-c2ccccc2)c1)=O

InChI

InChI=1S/C18H21NO3S/c1-5-22-16(20)13-11-14(12-9-7-6-8-10-12)23-15(13)19-17(21)18(2,3)4/h6-11H,5H2,1-4H3,(H,19,21)

InChI Key

ASZAIMWKUMRMNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02332785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.627

Distribution Coefficient, logD

4.584

Water Solubility, LogSw

-4.39

Polar Surface Area

43.878

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

-7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3643-2985 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3643-2985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-2985?
Check Price and Availability of 3643-2985, 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 3643-2985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-2985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-2985
  • 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 3643-2985 available by request