C800-1029 Screening compound: 1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

C800-1029 Screening compound: 1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole
C800-1029 Screening compound: 1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-1029
1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

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

C800-1029

Molecular Formula

C18H18N2S (C18 H18 N2 S)

Compound Name

1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

IUPAC name

1-[4-(methylsulfanyl)phenyl]-1H2H3H4H9H-pyrido[34-b]indole

SMILES

CSc1ccc(C2NCCc3c2[nH]c2c3cccc2)cc1

InChI

InChI=1S/C18H18N2S/c1-21-13-8-6-12(7-9-13)17-18-15(10-11-19-17)14-4-2-3-5-16(14)20-18/h2-9,17,19-20H,10-11H2,1H3/t17-/m1/s1

InChI Key

SQTZHFYGEYJNHL-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD05190641

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

294.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.452

Distribution Coefficient, logD

3.031

Water Solubility, LogSw

-3.79

Polar Surface Area

22.368

Acid Dissociation Constant (pKa)

18.36

Base Dissociation Constant (pKb)

7.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

C800-1029 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C800-1029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-1029?
Check Price and Availability of C800-1029, 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 C800-1029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-1029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-1029
  • 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 C800-1029 available by request