E847-0387 Screening compound: 3-({[2-(2-chlorophenyl)ethyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid

E847-0387 Screening compound: 3-({[2-(2-chlorophenyl)ethyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
E847-0387 Screening compound: 3-({[2-(2-chlorophenyl)ethyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E847-0387
3-({[2-(2-chlorophenyl)ethyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-6-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

E847-0387

Molecular Formula

C28H27ClN2O2 (C28 H27 ClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc2c1c(CNCCc(cccc1)c1Cl)c(C(O)=O)n2Cc1ccc(C=C)cc1

InChI

InChI=1S/C28H27ClN2O2/c1-3-20-9-11-21(12-10-20)18-31-26-16-19(2)8-13-23(26)24(27(31)28(32)33)17-30-15-14-22-6-4-5-7-25(22)29/h3-13,16,30H,1,14-15,17-18H2,2H3,(H,32,33)

InChI Key

TYABAMYVUUQSBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27602093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.99

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.964

Distribution Coefficient, logD

5.964

Water Solubility, LogSw

-5.82

Polar Surface Area

40.484

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

10.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

E847-0387 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 E847-0387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E847-0387?
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What is the minimum amount of E847-0387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E847-0387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E847-0387
  • 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 E847-0387 available by request