E847-0336 Screening compound: 1-[(4-methoxyphenyl)methyl]-6-methyl-3-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid

E847-0336 Screening compound: 1-[(4-methoxyphenyl)methyl]-6-methyl-3-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid
E847-0336 Screening compound: 1-[(4-methoxyphenyl)methyl]-6-methyl-3-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E847-0336
1-[(4-methoxyphenyl)methyl]-6-methyl-3-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid

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

E847-0336

Molecular Formula

C27H29N3O5S (C27 H29 N3 O5 S)

Compound Name

1-[(4-methoxyphenyl)methyl]-6-methyl-3-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid

IUPAC name

1-[(4-methoxyphenyl)methyl]-6-methyl-3-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid

SMILES

Cc(cc1)cc2c1c(CNCCc(cc1)ccc1S(N)(=O)=O)c(C(O)=O)n2Cc(cc1)ccc1OC

InChI

InChI=1S/C27H29N3O5S/c1-18-3-12-23-24(16-29-14-13-19-6-10-22(11-7-19)36(28,33)34)26(27(31)32)30(25(23)15-18)17-20-4-8-21(35-2)9-5-20/h3-12,15,29H,13-14,16-17H2,1-2H3,(H,31,32)(H2,28,33,34)

InChI Key

ZJCPZANNNPPSIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27602062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.876

Distribution Coefficient, logD

2.876

Water Solubility, LogSw

-3.51

Polar Surface Area

98.631

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

10.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E847-0336 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E847-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E847-0336?
Check Price and Availability of E847-0336, 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 E847-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E847-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E847-0336
  • 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 E847-0336 available by request