E847-0428 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-[(cycloheptylamino)methyl]-6-methyl-1H-indole-2-carboxylic acid

E847-0428 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-[(cycloheptylamino)methyl]-6-methyl-1H-indole-2-carboxylic acid
E847-0428 Screening compound: 1-[(2-chloro-4-fluorophenyl)methyl]-3-[(cycloheptylamino)methyl]-6-methyl-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E847-0428
1-[(2-chloro-4-fluorophenyl)methyl]-3-[(cycloheptylamino)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

E847-0428

Molecular Formula

C25H28ClFN2O2 (C25 H28 ClFN2 O2)

Compound Name

1-[(2-chloro-4-fluorophenyl)methyl]-3-[(cycloheptylamino)methyl]-6-methyl-1H-indole-2-carboxylic acid

IUPAC name

1-[(2-chloro-4-fluorophenyl)methyl]-3-[(cycloheptylamino)methyl]-6-methyl-1H-indole-2-carboxylic acid

SMILES

Cc(cc1)cc2c1c(CNC1CCCCCC1)c(C(O)=O)n2Cc(ccc(F)c1)c1Cl

InChI

InChI=1S/C25H28ClFN2O2/c1-16-8-11-20-21(14-28-19-6-4-2-3-5-7-19)24(25(30)31)29(23(20)12-16)15-17-9-10-18(27)13-22(17)26/h8-13,19,28H,2-7,14-15H2,1H3,(H,30,31)

InChI Key

BGUGOIDYEWEFOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27602111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.96

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.353

Distribution Coefficient, logD

6.353

Water Solubility, LogSw

-5.78

Polar Surface Area

40.490

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

11.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

E847-0428 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E847-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E847-0428?
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What is the minimum amount of E847-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E847-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E847-0428
  • 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 E847-0428 available by request