6526-0728 Screening compound: ethyl 2-[(benzenesulfonyl)methyl]-6-bromo-5-methoxy-1-phenyl-1H-indole-3-carboxylate

6526-0728 Screening compound: ethyl 2-[(benzenesulfonyl)methyl]-6-bromo-5-methoxy-1-phenyl-1H-indole-3-carboxylate
6526-0728 Screening compound: ethyl 2-[(benzenesulfonyl)methyl]-6-bromo-5-methoxy-1-phenyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6526-0728
ethyl 2-[(benzenesulfonyl)methyl]-6-bromo-5-methoxy-1-phenyl-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

6526-0728

Molecular Formula

C25H22BrNO5S (C25 H22 BrNO5 S)

Compound Name

ethyl 2-[(benzenesulfonyl)methyl]-6-bromo-5-methoxy-1-phenyl-1H-indole-3-carboxylate

IUPAC name

ethyl 2-[(benzenesulfonyl)methyl]-6-bromo-5-methoxy-1-phenyl-1H-indole-3-carboxylate

SMILES

CCOC(c(c(c1c2)cc(OC)c2Br)c(CS(c2ccccc2)(=O)=O)n1-c1ccccc1)=O

InChI

InChI=1S/C25H22BrNO5S/c1-3-32-25(28)24-19-14-23(31-2)20(26)15-21(19)27(17-10-6-4-7-11-17)22(24)16-33(29,30)18-12-8-5-9-13-18/h4-15H,3,16H2,1-2H3

InChI Key

JGTOCHDOONDOBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03164364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.158

Distribution Coefficient, logD

5.158

Water Solubility, LogSw

-5.22

Polar Surface Area

58.841

Acid Dissociation Constant (pKa)

19.82

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

6526-0728 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6526-0728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6526-0728?
Check Price and Availability of 6526-0728, 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 6526-0728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6526-0728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6526-0728
  • 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 6526-0728 available by request