E847-0146 Screening compound: 3-({[(3-fluorophenyl)methyl]amino}methyl)-6-methyl-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid

E847-0146 Screening compound: 3-({[(3-fluorophenyl)methyl]amino}methyl)-6-methyl-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid
E847-0146 Screening compound: 3-({[(3-fluorophenyl)methyl]amino}methyl)-6-methyl-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E847-0146
3-({[(3-fluorophenyl)methyl]amino}methyl)-6-methyl-1-[(2-methylphenyl)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

E847-0146

Molecular Formula

C26H25FN2O2 (C26 H25 FN2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc2c1c(CNCc1cccc(F)c1)c(C(O)=O)n2Cc1c(C)cccc1

InChI

InChI=1S/C26H25FN2O2/c1-17-10-11-22-23(15-28-14-19-7-5-9-21(27)13-19)25(26(30)31)29(24(22)12-17)16-20-8-4-3-6-18(20)2/h3-13,28H,14-16H2,1-2H3,(H,30,31)

InChI Key

XQTBRDCHPPVMSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.625

Distribution Coefficient, logD

5.625

Water Solubility, LogSw

-5.48

Polar Surface Area

40.642

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

10.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with E847-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E847-0146?
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What is the minimum amount of E847-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E847-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E847-0146
  • 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 E847-0146 available by request