R052-1596 Screening compound: ethyl 2-amino-5-[(3,5-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

R052-1596 Screening compound: ethyl 2-amino-5-[(3,5-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
R052-1596 Screening compound: ethyl 2-amino-5-[(3,5-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-1596
ethyl 2-amino-5-[(3,5-dimethylphenyl)carbamoyl]-4-methylthiophene-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

R052-1596

Molecular Formula

C17H20N2O3S (C17 H20 N2 O3 S)

Compound Name

ethyl 2-amino-5-[(3,5-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

IUPAC name

ethyl 2-amino-5-[(35-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

SMILES

CCOC(c1c(N)sc(C(Nc2cc(C)cc(C)c2)=O)c1C)=O

InChI

InChI=1S/C17H20N2O3S/c1-5-22-17(21)13-11(4)14(23-15(13)18)16(20)19-12-7-9(2)6-10(3)8-12/h6-8H,5,18H2,1-4H3,(H,19,20)

InChI Key

SIGYUBKBFHYQBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02104527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.412

Distribution Coefficient, logD

3.412

Water Solubility, LogSw

-3.82

Polar Surface Area

65.360

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

R052-1596 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with R052-1596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-1596?
Check Price and Availability of R052-1596, 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 R052-1596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-1596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-1596
  • 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 R052-1596 available by request