8016-7331 Screening compound: 2-methyl-3-{[(3-methyl-2-quinoxalinyl)methyl]sulfanyl}quinoxaline

8016-7331 Screening compound: 2-methyl-3-{[(3-methyl-2-quinoxalinyl)methyl]sulfanyl}quinoxaline
8016-7331 Screening compound: 2-methyl-3-{[(3-methyl-2-quinoxalinyl)methyl]sulfanyl}quinoxaline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7331
2-methyl-3-{[(3-methyl-2-quinoxalinyl)methyl]sulfanyl}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

8016-7331

Molecular Formula

C19H16N4S (C19 H16 N4 S)

Compound Name

2-methyl-3-{[(3-methyl-2-quinoxalinyl)methyl]sulfanyl}quinoxaline

IUPAC name

2-methyl-3-{[(3-methylquinoxalin-2-yl)sulfanyl]methyl}quinoxaline

SMILES

Cc1nc2ccccc2nc1CSc1nc2ccccc2nc1C

InChI

InChI=1S/C19H16N4S/c1-12-18(22-16-9-5-3-7-14(16)20-12)11-24-19-13(2)21-15-8-4-6-10-17(15)23-19/h3-10H,11H2,1-2H3

InChI Key

ZLZDQXSYQYKNOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.524

Distribution Coefficient, logD

4.524

Water Solubility, LogSw

-4.36

Polar Surface Area

36.384

Acid Dissociation Constant (pKa)

22.28

Base Dissociation Constant (pKb)

4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

8016-7331 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-7331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7331?
Check Price and Availability of 8016-7331, 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 8016-7331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7331
  • 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 8016-7331 available by request