F680-0562 Screening compound: 2-[(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)sulfanyl]-N-[2-(thiophen-2-yl)ethyl]acetamide

F680-0562 Screening compound: 2-[(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)sulfanyl]-N-[2-(thiophen-2-yl)ethyl]acetamide
F680-0562 Screening compound: 2-[(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)sulfanyl]-N-[2-(thiophen-2-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F680-0562
2-[(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)sulfanyl]-N-[2-(thiophen-2-yl)ethyl]acetamide

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

F680-0562

Molecular Formula

C17H17N3O2S2 (C17 H17 N3 O2 S2)

Compound Name

2-[(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)sulfanyl]-N-[2-(thiophen-2-yl)ethyl]acetamide

IUPAC name

2-[(4-methyl-3-oxo-34-dihydroquinoxalin-2-yl)sulfanyl]-N-[2-(thiophen-2-yl)ethyl]acetamide

SMILES

CN(c(cccc1)c1N=C1SCC(NCCc2cccs2)=O)C1=O

InChI

InChI=1S/C17H17N3O2S2/c1-20-14-7-3-2-6-13(14)19-16(17(20)22)24-11-15(21)18-9-8-12-5-4-10-23-12/h2-7,10H,8-9,11H2,1H3,(H,18,21)

InChI Key

BLQUFLRIDVFVKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14962517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.567

Distribution Coefficient, logD

1.567

Water Solubility, LogSw

-2.29

Polar Surface Area

48.966

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

F680-0562 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 F680-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F680-0562?
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What is the minimum amount of F680-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F680-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F680-0562
  • 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 F680-0562 available by request