1655-0094 Screening compound: ethyl 2-methyl-5-(4-methylbenzenesulfonamido)-1-(2-methylphenyl)-1H-indole-3-carboxylate

1655-0094 Screening compound: ethyl 2-methyl-5-(4-methylbenzenesulfonamido)-1-(2-methylphenyl)-1H-indole-3-carboxylate
1655-0094 Screening compound: ethyl 2-methyl-5-(4-methylbenzenesulfonamido)-1-(2-methylphenyl)-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1655-0094
ethyl 2-methyl-5-(4-methylbenzenesulfonamido)-1-(2-methylphenyl)-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

1655-0094

Molecular Formula

C26H26N2O4S (C26 H26 N2 O4 S)

Compound Name

ethyl 2-methyl-5-(4-methylbenzenesulfonamido)-1-(2-methylphenyl)-1H-indole-3-carboxylate

IUPAC name

ethyl 2-methyl-5-(4-methylbenzenesulfonamido)-1-(2-methylphenyl)-1H-indole-3-carboxylate

SMILES

CCOC(c(c1c2ccc(NS(c3ccc(C)cc3)(=O)=O)c1)c(C)n2-c1c(C)cccc1)=O

InChI

InChI=1S/C26H26N2O4S/c1-5-32-26(29)25-19(4)28(23-9-7-6-8-18(23)3)24-15-12-20(16-22(24)25)27-33(30,31)21-13-10-17(2)11-14-21/h6-16,27H,5H2,1-4H3

InChI Key

RCBIIUZAKMLXRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01235886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.928

Distribution Coefficient, logD

5.900

Water Solubility, LogSw

-5.56

Polar Surface Area

63.285

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

1655-0094 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Frequent Hitters Library (7624 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Structure:
  • Pool
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 1655-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1655-0094?
Check Price and Availability of 1655-0094, 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 1655-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1655-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1655-0094
  • 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 1655-0094 available by request