8013-7699 Screening compound: 4a-methyl-6-(methylsulfanyl)-1H,2H,3H,4H,4aH,12cH-benzo[k]phenanthridine

8013-7699 Screening compound: 4a-methyl-6-(methylsulfanyl)-1H,2H,3H,4H,4aH,12cH-benzo[k]phenanthridine
8013-7699 Screening compound: 4a-methyl-6-(methylsulfanyl)-1H,2H,3H,4H,4aH,12cH-benzo[k]phenanthridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-7699
4a-methyl-6-(methylsulfanyl)-1H,2H,3H,4H,4aH,12cH-benzo[k]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

8013-7699

Molecular Formula

C19H21NS (C19 H21 NS)

Compound Name

4a-methyl-6-(methylsulfanyl)-1H,2H,3H,4H,4aH,12cH-benzo[k]phenanthridine

IUPAC name

4a-methyl-6-(methylsulfanyl)-1H2H3H4H4aH12cH-benzo[k]phenanthridine

SMILES

CC(CCCC1)(C1c1c2ccc3ccccc13)N=C2SC

InChI

InChI=1S/C19H21NS/c1-19-12-6-5-9-16(19)17-14-8-4-3-7-13(14)10-11-15(17)18(20-19)21-2/h3-4,7-8,10-11,16H,5-6,9,12H2,1-2H3

InChI Key

IRVMDJVQMGWFTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.45

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

5.264

Distribution Coefficient, logD

5.143

Water Solubility, LogSw

-6.13

Polar Surface Area

8.736

Acid Dissociation Constant (pKa)

22.51

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.10

8013-7699 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8013-7699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-7699?
Check Price and Availability of 8013-7699, 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 8013-7699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-7699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-7699
  • 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 8013-7699 available by request