D103-1727 Screening compound: ethyl 2-(6,8-dimethyl-4-oxo-4H-chromene-2-amido)-4,5-dimethylthiophene-3-carboxylate

D103-1727 Screening compound: ethyl 2-(6,8-dimethyl-4-oxo-4H-chromene-2-amido)-4,5-dimethylthiophene-3-carboxylate
D103-1727 Screening compound: ethyl 2-(6,8-dimethyl-4-oxo-4H-chromene-2-amido)-4,5-dimethylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-1727
ethyl 2-(6,8-dimethyl-4-oxo-4H-chromene-2-amido)-4,5-dimethylthiophene-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

D103-1727

Molecular Formula

C21H21NO5S (C21 H21 NO5 S)

Compound Name

ethyl 2-(6,8-dimethyl-4-oxo-4H-chromene-2-amido)-4,5-dimethylthiophene-3-carboxylate

IUPAC name

ethyl 2-(68-dimethyl-4-oxo-4H-chromene-2-amido)-45-dimethylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(Oc2c3cc(C)cc2C)=CC3=O)=O)sc(C)c1C)=O

InChI

InChI=1S/C21H21NO5S/c1-6-26-21(25)17-12(4)13(5)28-20(17)22-19(24)16-9-15(23)14-8-10(2)7-11(3)18(14)27-16/h7-9H,6H2,1-5H3,(H,22,24)

InChI Key

DPMVOGOHQHMITM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06609914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.731

Distribution Coefficient, logD

1.442

Water Solubility, LogSw

-4.58

Polar Surface Area

65.380

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

-5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D103-1727 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D103-1727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-1727?
Check Price and Availability of D103-1727, 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 D103-1727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-1727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-1727
  • 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 D103-1727 available by request