E518-0580 Screening compound: 3-[(cycloheptylamino)methyl]-1-[(2-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid

E518-0580 Screening compound: 3-[(cycloheptylamino)methyl]-1-[(2-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid
E518-0580 Screening compound: 3-[(cycloheptylamino)methyl]-1-[(2-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E518-0580
3-[(cycloheptylamino)methyl]-1-[(2-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

E518-0580

Molecular Formula

C25H29FN2O3 (C25 H29 FN2 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)cc2c1c(CNC1CCCCCC1)c(C(O)=O)n2Cc(cccc1)c1F

InChI

InChI=1S/C25H29FN2O3/c1-31-19-12-13-20-21(15-27-18-9-4-2-3-5-10-18)24(25(29)30)28(23(20)14-19)16-17-8-6-7-11-22(17)26/h6-8,11-14,18,27H,2-5,9-10,15-16H2,1H3,(H,29,30)

InChI Key

SGSJXZCAUBRGDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27599182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.351

Distribution Coefficient, logD

5.351

Water Solubility, LogSw

-5.35

Polar Surface Area

48.033

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

11.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

E518-0580 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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 E518-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E518-0580?
Check Price and Availability of E518-0580, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E518-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E518-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E518-0580
  • 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 E518-0580 available by request