1988-1812 Screening compound: ethyl 5-acetyl-2-(1-benzofuran-2-amido)-4-methylthiophene-3-carboxylate

1988-1812 Screening compound: ethyl 5-acetyl-2-(1-benzofuran-2-amido)-4-methylthiophene-3-carboxylate
1988-1812 Screening compound: ethyl 5-acetyl-2-(1-benzofuran-2-amido)-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-1812
ethyl 5-acetyl-2-(1-benzofuran-2-amido)-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

1988-1812

Molecular Formula

C19H17NO5S (C19 H17 NO5 S)

Compound Name

ethyl 5-acetyl-2-(1-benzofuran-2-amido)-4-methylthiophene-3-carboxylate

IUPAC name

ethyl 5-acetyl-2-(1-benzofuran-2-amido)-4-methylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2cc(cccc3)c3o2)=O)sc(C(C)=O)c1C)=O

InChI

InChI=1S/C19H17NO5S/c1-4-24-19(23)15-10(2)16(11(3)21)26-18(15)20-17(22)14-9-12-7-5-6-8-13(12)25-14/h5-9H,4H2,1-3H3,(H,20,22)

InChI Key

XYYHOBKCYKQHTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01070927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.41

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

3.960

Distribution Coefficient, logD

0.028

Water Solubility, LogSw

-4.35

Polar Surface Area

65.997

Acid Dissociation Constant (pKa)

3.47

Base Dissociation Constant (pKb)

-7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

1988-1812 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 1988-1812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-1812?
Check Price and Availability of 1988-1812, 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 1988-1812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-1812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-1812
  • 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 1988-1812 available by request