F680-0588 Screening compound: N-[(2-chlorophenyl)methyl]-2-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}sulfanyl)acetamide

F680-0588 Screening compound: N-[(2-chlorophenyl)methyl]-2-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}sulfanyl)acetamide
F680-0588 Screening compound: N-[(2-chlorophenyl)methyl]-2-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F680-0588
N-[(2-chlorophenyl)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

F680-0588

Molecular Formula

C25H22ClN3O2S (C25 H22 ClN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CN(c(cccc2)c2N=C2SCC(NCc(cccc3)c3Cl)=O)C2=O)cc1

InChI

InChI=1S/C25H22ClN3O2S/c1-17-10-12-18(13-11-17)15-29-22-9-5-4-8-21(22)28-24(25(29)31)32-16-23(30)27-14-19-6-2-3-7-20(19)26/h2-13H,14-16H2,1H3,(H,27,30)

InChI Key

KBOABSOINGUHQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14962536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.981

Distribution Coefficient, logD

4.981

Water Solubility, LogSw

-4.90

Polar Surface Area

48.069

Acid Dissociation Constant (pKa)

13.44

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with F680-0588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F680-0588?
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What is the minimum amount of F680-0588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F680-0588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F680-0588
  • 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 F680-0588 available by request