6415-1505 Screening compound: N~1~-[2-(benzylsulfanyl)ethyl]-2-[2-oxobenzo[cd]indol-1(2H)-yl]acetamide

6415-1505 Screening compound: N~1~-[2-(benzylsulfanyl)ethyl]-2-[2-oxobenzo[cd]indol-1(2H)-yl]acetamide
6415-1505 Screening compound: N~1~-[2-(benzylsulfanyl)ethyl]-2-[2-oxobenzo[cd]indol-1(2H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6415-1505
N~1~-[2-(benzylsulfanyl)ethyl]-2-[2-oxobenzo[cd]indol-1(2H)-yl]acetamide

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

6415-1505

Molecular Formula

C22H20N2O2S (C22 H20 N2 O2 S)

Compound Name

N~1~-[2-(benzylsulfanyl)ethyl]-2-[2-oxobenzo[cd]indol-1(2H)-yl]acetamide

IUPAC name

N-[2-(benzylsulfanyl)ethyl]-2-{3-oxo-2-azatricyclo[6.3.1.0^{412}]dodeca-1(12)46810-pentaen-2-yl}acetamide

SMILES

O=C(CN(c1cccc2cccc3c12)C3=O)NCCSCc1ccccc1

InChI

InChI=1S/C22H20N2O2S/c25-20(23-12-13-27-15-16-6-2-1-3-7-16)14-24-19-11-5-9-17-8-4-10-18(21(17)19)22(24)26/h1-11H,12-15H2,(H,23,25)

InChI Key

FUMDKYNJVYLBNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04319034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.402

Distribution Coefficient, logD

3.402

Water Solubility, LogSw

-4.08

Polar Surface Area

39.749

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 6415-1505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6415-1505?
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What is the minimum amount of 6415-1505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6415-1505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6415-1505
  • 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 6415-1505 available by request