4315-0572 Screening compound: ethyl 5-methyl-2-(2-oxo-2H-chromene-3-amido)-4-phenylthiophene-3-carboxylate

4315-0572 Screening compound: ethyl 5-methyl-2-(2-oxo-2H-chromene-3-amido)-4-phenylthiophene-3-carboxylate
4315-0572 Screening compound: ethyl 5-methyl-2-(2-oxo-2H-chromene-3-amido)-4-phenylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4315-0572
ethyl 5-methyl-2-(2-oxo-2H-chromene-3-amido)-4-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

4315-0572

Molecular Formula

C24H19NO5S (C24 H19 NO5 S)

Compound Name

ethyl 5-methyl-2-(2-oxo-2H-chromene-3-amido)-4-phenylthiophene-3-carboxylate

IUPAC name

ethyl 5-methyl-2-(2-oxo-2H-chromene-3-amido)-4-phenylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C2=Cc(cccc3)c3OC2=O)=O)sc(C)c1-c1ccccc1)=O

InChI

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

InChI Key

DMJWKNBMUNKOHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02173446

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

4.806

Distribution Coefficient, logD

2.404

Water Solubility, LogSw

-4.75

Polar Surface Area

64.528

Acid Dissociation Constant (pKa)

5.00

Base Dissociation Constant (pKb)

-7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4315-0572 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 4315-0572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4315-0572?
Check Price and Availability of 4315-0572, 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 4315-0572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4315-0572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4315-0572
  • 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 4315-0572 available by request