4558-1709 Screening compound: 5-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H-benzo[a]phenanthridine

4558-1709 Screening compound: 5-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H-benzo[a]phenanthridine
4558-1709 Screening compound: 5-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H-benzo[a]phenanthridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4558-1709
5-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H-benzo[a]phenanthridine

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

4558-1709

Molecular Formula

C24H21NS (C24 H21 NS)

Compound Name

5-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H-benzo[a]phenanthridine

IUPAC name

5-[4-(methylsulfanyl)phenyl]-1H2H3H4H-benzo[a]phenanthridine

SMILES

CSc(cc1)ccc1-c1nc2ccc(cccc3)c3c2c2c1CCCC2

InChI

InChI=1S/C24H21NS/c1-26-18-13-10-17(11-14-18)24-21-9-5-4-8-20(21)23-19-7-3-2-6-16(19)12-15-22(23)25-24/h2-3,6-7,10-15H,4-5,8-9H2,1H3

InChI Key

GSJHCNPHATZPQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447819

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

355.5

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

7.206

Distribution Coefficient, logD

7.204

Water Solubility, LogSw

-7.17

Polar Surface Area

8.717

Acid Dissociation Constant (pKa)

20.84

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with 4558-1709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4558-1709?
Check Price and Availability of 4558-1709, 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 4558-1709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4558-1709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4558-1709
  • 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 4558-1709 available by request