C066-5268 Screening compound: 3-[(2-methoxyphenyl)methyl]quinoxaline-2-thiol

C066-5268 Screening compound: 3-[(2-methoxyphenyl)methyl]quinoxaline-2-thiol
C066-5268 Screening compound: 3-[(2-methoxyphenyl)methyl]quinoxaline-2-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5268
3-[(2-methoxyphenyl)methyl]quinoxaline-2-thiol

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

C066-5268

Molecular Formula

C16H14N2OS (C16 H14 N2 OS)

Compound Name

3-[(2-methoxyphenyl)methyl]quinoxaline-2-thiol

IUPAC name

3-[(2-methoxyphenyl)methyl]quinoxaline-2-thiol

SMILES

COc1c(Cc2nc3ccccc3nc2S)cccc1

InChI

InChI=1S/C16H14N2OS/c1-19-15-9-5-2-6-11(15)10-14-16(20)18-13-8-4-3-7-12(13)17-14/h2-9H,10H2,1H3,(H,18,20)

InChI Key

TZMBTEQJNUCTKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14280281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.895

Distribution Coefficient, logD

2.448

Water Solubility, LogSw

-4.18

Polar Surface Area

25.366

Acid Dissociation Constant (pKa)

5.97

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C066-5268 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 C066-5268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5268?
Check Price and Availability of C066-5268, 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 C066-5268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5268
  • 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 C066-5268 available by request