E847-0219 Screening compound: 3-({[2-(2-chlorophenyl)ethyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid

E847-0219 Screening compound: 3-({[2-(2-chlorophenyl)ethyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid
E847-0219 Screening compound: 3-({[2-(2-chlorophenyl)ethyl]amino}methyl)-1-[(2-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E847-0219
3-({[2-(2-chlorophenyl)ethyl]amino}methyl)-1-[(2-fluorophenyl)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

E847-0219

Molecular Formula

C26H24ClFN2O2 (C26 H24 ClFN2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc2c1c(CNCCc(cccc1)c1Cl)c(C(O)=O)n2Cc(cccc1)c1F

InChI

InChI=1S/C26H24ClFN2O2/c1-17-10-11-20-21(15-29-13-12-18-6-2-4-8-22(18)27)25(26(31)32)30(24(20)14-17)16-19-7-3-5-9-23(19)28/h2-11,14,29H,12-13,15-16H2,1H3,(H,31,32)

InChI Key

FNFSXCALWJVXJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.648

Distribution Coefficient, logD

5.648

Water Solubility, LogSw

-5.65

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

19.20

E847-0219 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E847-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E847-0219?
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What is the minimum amount of E847-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E847-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E847-0219
  • 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 E847-0219 available by request