C200-9076 Screening compound: 1-methyl-4-{[(3-methylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]quinoxaline

C200-9076 Screening compound: 1-methyl-4-{[(3-methylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]quinoxaline
C200-9076 Screening compound: 1-methyl-4-{[(3-methylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]quinoxaline alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-9076
1-methyl-4-{[(3-methylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]quinoxaline

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

C200-9076

Molecular Formula

C18H16N4S (C18 H16 N4 S)

Compound Name

1-methyl-4-{[(3-methylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]quinoxaline

IUPAC name

1-methyl-4-{[(3-methylphenyl)methyl]sulfanyl}-[124]triazolo[43-a]quinoxaline

SMILES

Cc1nnc2n1c(cccc1)c1nc2SCc1cc(C)ccc1

InChI

InChI=1S/C18H16N4S/c1-12-6-5-7-14(10-12)11-23-18-17-21-20-13(2)22(17)16-9-4-3-8-15(16)19-18/h3-10H,11H2,1-2H3

InChI Key

BQUULWNQFMQTSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27643235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.073

Distribution Coefficient, logD

4.073

Water Solubility, LogSw

-4.13

Polar Surface Area

30.557

Acid Dissociation Constant (pKa)

24.92

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C200-9076 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with C200-9076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-9076?
Check Price and Availability of C200-9076, 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 C200-9076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-9076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-9076
  • 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 C200-9076 available by request