E847-0132 Screening compound: 3-{[(butan-2-yl)amino]methyl}-6-methyl-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid

E847-0132 Screening compound: 3-{[(butan-2-yl)amino]methyl}-6-methyl-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid
E847-0132 Screening compound: 3-{[(butan-2-yl)amino]methyl}-6-methyl-1-[(2-methylphenyl)methyl]-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E847-0132
3-{[(butan-2-yl)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

E847-0132

Molecular Formula

C23H28N2O2 (C23 H28 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)NCc1c(C(O)=O)n(Cc2c(C)cccc2)c2c1ccc(C)c2

InChI

InChI=1S/C23H28N2O2/c1-5-17(4)24-13-20-19-11-10-15(2)12-21(19)25(22(20)23(26)27)14-18-9-7-6-8-16(18)3/h6-12,17,24H,5,13-14H2,1-4H3,(H,26,27)/t17-/m0/s1

InChI Key

QSMKLZQYNQTOHM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27601924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.49

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

5.079

Distribution Coefficient, logD

5.079

Water Solubility, LogSw

-4.80

Polar Surface Area

40.146

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

12.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

E847-0132 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E847-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E847-0132?
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What is the minimum amount of E847-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E847-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E847-0132
  • 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 E847-0132 available by request