1988-1799 Screening compound: ethyl 5-acetyl-4-methyl-2-(2-oxo-2H-chromene-3-amido)thiophene-3-carboxylate

1988-1799 Screening compound: ethyl 5-acetyl-4-methyl-2-(2-oxo-2H-chromene-3-amido)thiophene-3-carboxylate
1988-1799 Screening compound: ethyl 5-acetyl-4-methyl-2-(2-oxo-2H-chromene-3-amido)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-1799
ethyl 5-acetyl-4-methyl-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

1988-1799

Molecular Formula

C20H17NO6S (C20 H17 NO6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(NC(C2=Cc(cccc3)c3OC2=O)=O)sc(C(C)=O)c1C)=O

InChI

InChI=1S/C20H17NO6S/c1-4-26-20(25)15-10(2)16(11(3)22)28-18(15)21-17(23)13-9-12-7-5-6-8-14(12)27-19(13)24/h5-9H,4H2,1-3H3,(H,21,23)

InChI Key

XQBXQVRPFPUCDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01070916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.861

Distribution Coefficient, logD

-2.633

Water Solubility, LogSw

-3.46

Polar Surface Area

78.626

Acid Dissociation Constant (pKa)

1.91

Base Dissociation Constant (pKb)

-8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

1988-1799 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 1988-1799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-1799?
Check Price and Availability of 1988-1799, 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 1988-1799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-1799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-1799
  • 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 1988-1799 available by request