E847-0061 Screening compound: 3-({[(2,5-dimethoxyphenyl)methyl]amino}methyl)-1-[(3-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid

E847-0061 Screening compound: 3-({[(2,5-dimethoxyphenyl)methyl]amino}methyl)-1-[(3-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid
E847-0061 Screening compound: 3-({[(2,5-dimethoxyphenyl)methyl]amino}methyl)-1-[(3-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E847-0061
3-({[(2,5-dimethoxyphenyl)methyl]amino}methyl)-1-[(3-fluorophenyl)methyl]-6-methoxy-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

E847-0061

Molecular Formula

C27H27FN2O5 (C27 H27 FN2 O5)

Compound Name

3-({[(2,5-dimethoxyphenyl)methyl]amino}methyl)-1-[(3-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid

IUPAC name

3-({[(25-dimethoxyphenyl)methyl]amino}methyl)-1-[(3-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid

SMILES

COc(cc1)cc2c1c(CNCc(cc(cc1)OC)c1OC)c(C(O)=O)n2Cc1cccc(F)c1

InChI

InChI=1S/C27H27FN2O5/c1-33-20-8-10-25(35-3)18(12-20)14-29-15-23-22-9-7-21(34-2)13-24(22)30(26(23)27(31)32)16-17-5-4-6-19(28)11-17/h4-13,29H,14-16H2,1-3H3,(H,31,32)

InChI Key

BSUDFXVJOWIKRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.575

Distribution Coefficient, logD

4.575

Water Solubility, LogSw

-4.56

Polar Surface Area

63.360

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

12.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E847-0061 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E847-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E847-0061?
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What is the minimum amount of E847-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E847-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E847-0061
  • 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 E847-0061 available by request