F581-0261 Screening compound: ethyl 5-[(8-ethoxy-3,4-dihydro-2H-1-benzopyran-3-yl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate

F581-0261 Screening compound: ethyl 5-[(8-ethoxy-3,4-dihydro-2H-1-benzopyran-3-yl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
F581-0261 Screening compound: ethyl 5-[(8-ethoxy-3,4-dihydro-2H-1-benzopyran-3-yl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F581-0261
ethyl 5-[(8-ethoxy-3,4-dihydro-2H-1-benzopyran-3-yl)sulfamoyl]-3-methyl-1-benzofuran-2-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

F581-0261

Molecular Formula

C23H25NO7S (C23 H25 NO7 S)

Compound Name

ethyl 5-[(8-ethoxy-3,4-dihydro-2H-1-benzopyran-3-yl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate

IUPAC name

ethyl 5-[(8-ethoxy-34-dihydro-2H-1-benzopyran-3-yl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylate

SMILES

CCOC(c1c(C)c(cc(cc2)S(NC(C3)COc4c3cccc4OCC)(=O)=O)c2o1)=O

InChI

InChI=1S/C23H25NO7S/c1-4-28-20-8-6-7-15-11-16(13-30-22(15)20)24-32(26,27)17-9-10-19-18(12-17)14(3)21(31-19)23(25)29-5-2/h6-10,12,16,24H,4-5,11,13H2,1-3H3/t16-/m0/s1

InChI Key

BZCGOSMZPRLEIZ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14960093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.830

Distribution Coefficient, logD

4.830

Water Solubility, LogSw

-4.68

Polar Surface Area

86.287

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

-4.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

F581-0261 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F581-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F581-0261?
Check Price and Availability of F581-0261, 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 F581-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F581-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F581-0261
  • 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 F581-0261 available by request