4476-4752 Screening compound: ethyl 4-(4-methylphenyl)-2-(2-oxo-2H-chromene-3-amido)thiophene-3-carboxylate

4476-4752 Screening compound: ethyl 4-(4-methylphenyl)-2-(2-oxo-2H-chromene-3-amido)thiophene-3-carboxylate
4476-4752 Screening compound: ethyl 4-(4-methylphenyl)-2-(2-oxo-2H-chromene-3-amido)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-4752
ethyl 4-(4-methylphenyl)-2-(2-oxo-2H-chromene-3-amido)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

4476-4752

Molecular Formula

C24H19NO5S (C24 H19 NO5 S)

Compound Name

ethyl 4-(4-methylphenyl)-2-(2-oxo-2H-chromene-3-amido)thiophene-3-carboxylate

IUPAC name

ethyl 4-(4-methylphenyl)-2-(2-oxo-2H-chromene-3-amido)thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C2=Cc(cccc3)c3OC2=O)=O)scc1-c1ccc(C)cc1)=O

InChI

InChI=1S/C24H19NO5S/c1-3-29-24(28)20-18(15-10-8-14(2)9-11-15)13-31-22(20)25-21(26)17-12-16-6-4-5-7-19(16)30-23(17)27/h4-13H,3H2,1-2H3,(H,25,26)

InChI Key

UFHWVWRZLRXBCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01944504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.947

Distribution Coefficient, logD

3.603

Water Solubility, LogSw

-4.74

Polar Surface Area

64.528

Acid Dissociation Constant (pKa)

6.08

Base Dissociation Constant (pKb)

-9.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4476-4752 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4476-4752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-4752?
Check Price and Availability of 4476-4752, 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 4476-4752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-4752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-4752
  • 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 4476-4752 available by request