F680-0716 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-2-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}sulfanyl)acetamide

F680-0716 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-2-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}sulfanyl)acetamide
F680-0716 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-2-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F680-0716
N-[(2,4-dimethoxyphenyl)methyl]-2-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}sulfanyl)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

F680-0716

Molecular Formula

C27H27N3O4S (C27 H27 N3 O4 S)

Compound Name

N-[(2,4-dimethoxyphenyl)methyl]-2-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}sulfanyl)acetamide

IUPAC name

N-[(24-dimethoxyphenyl)methyl]-2-({4-[(4-methylphenyl)methyl]-3-oxo-34-dihydroquinoxalin-2-yl}sulfanyl)acetamide

SMILES

Cc1ccc(CN(c(cccc2)c2N=C2SCC(NCc(ccc(OC)c3)c3OC)=O)C2=O)cc1

InChI

InChI=1S/C27H27N3O4S/c1-18-8-10-19(11-9-18)16-30-23-7-5-4-6-22(23)29-26(27(30)32)35-17-25(31)28-15-20-12-13-21(33-2)14-24(20)34-3/h4-14H,15-17H2,1-3H3,(H,28,31)

InChI Key

QOYHHVVSKLWRRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14962586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.419

Distribution Coefficient, logD

4.419

Water Solubility, LogSw

-4.31

Polar Surface Area

63.243

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

F680-0716 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F680-0716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F680-0716?
Check Price and Availability of F680-0716, 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 F680-0716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F680-0716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F680-0716
  • 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 F680-0716 available by request