8524-7417 Screening compound: ethyl 1-methanesulfonyl-5-(N-methanesulfonylfuran-2-amido)-2-methyl-1H-indole-3-carboxylate

8524-7417 Screening compound: ethyl 1-methanesulfonyl-5-(N-methanesulfonylfuran-2-amido)-2-methyl-1H-indole-3-carboxylate
8524-7417 Screening compound: ethyl 1-methanesulfonyl-5-(N-methanesulfonylfuran-2-amido)-2-methyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8524-7417
ethyl 1-methanesulfonyl-5-(N-methanesulfonylfuran-2-amido)-2-methyl-1H-indole-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

8524-7417

Molecular Formula

C19H20N2O8S2 (C19 H20 N2 O8 S2)

Compound Name

ethyl 1-methanesulfonyl-5-(N-methanesulfonylfuran-2-amido)-2-methyl-1H-indole-3-carboxylate

IUPAC name

ethyl 1-methanesulfonyl-5-(N-methanesulfonylfuran-2-amido)-2-methyl-1H-indole-3-carboxylate

SMILES

CCOC(c(c1c2ccc(N(C(c3ccco3)=O)S(C)(=O)=O)c1)c(C)n2S(C)(=O)=O)=O

InChI

InChI=1S/C19H20N2O8S2/c1-5-28-19(23)17-12(2)20(30(3,24)25)15-9-8-13(11-14(15)17)21(31(4,26)27)18(22)16-7-6-10-29-16/h6-11H,5H2,1-4H3

InChI Key

KTMLBSZTILEAGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08162564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.51

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.699

Distribution Coefficient, logD

1.699

Water Solubility, LogSw

-2.42

Polar Surface Area

101.993

Acid Dissociation Constant (pKa)

23.36

Base Dissociation Constant (pKb)

-12.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

8524-7417 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8524-7417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8524-7417?
Check Price and Availability of 8524-7417, 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 8524-7417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8524-7417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8524-7417
  • 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 8524-7417 available by request