8524-6516 Screening compound: butyl 5-methanesulfonamido-1-methanesulfonyl-2-methyl-1H-indole-3-carboxylate

8524-6516 Screening compound: butyl 5-methanesulfonamido-1-methanesulfonyl-2-methyl-1H-indole-3-carboxylate
8524-6516 Screening compound: butyl 5-methanesulfonamido-1-methanesulfonyl-2-methyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8524-6516
butyl 5-methanesulfonamido-1-methanesulfonyl-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

8524-6516

Molecular Formula

C16H22N2O6S2 (C16 H22 N2 O6 S2)

Compound Name

butyl 5-methanesulfonamido-1-methanesulfonyl-2-methyl-1H-indole-3-carboxylate

IUPAC name

butyl 5-methanesulfonamido-1-methanesulfonyl-2-methyl-1H-indole-3-carboxylate

SMILES

CCCCOC(c(c1c2ccc(NS(C)(=O)=O)c1)c(C)n2S(C)(=O)=O)=O

InChI

InChI=1S/C16H22N2O6S2/c1-5-6-9-24-16(19)15-11(2)18(26(4,22)23)14-8-7-12(10-13(14)15)17-25(3,20)21/h7-8,10,17H,5-6,9H2,1-4H3

InChI Key

CSJUTBJARSCLIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07330340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.49

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

2.215

Distribution Coefficient, logD

2.125

Water Solubility, LogSw

-2.98

Polar Surface Area

90.505

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

-10.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

8524-6516 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8524-6516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8524-6516?
Check Price and Availability of 8524-6516, 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 8524-6516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8524-6516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8524-6516
  • 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 8524-6516 available by request