F681-0635 Screening compound: ethyl 3-[1-(3-oxo-3,4-dihydroquinoxalin-2-yl)piperidine-3-amido]benzoate

F681-0635 Screening compound: ethyl 3-[1-(3-oxo-3,4-dihydroquinoxalin-2-yl)piperidine-3-amido]benzoate
F681-0635 Screening compound: ethyl 3-[1-(3-oxo-3,4-dihydroquinoxalin-2-yl)piperidine-3-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F681-0635
ethyl 3-[1-(3-oxo-3,4-dihydroquinoxalin-2-yl)piperidine-3-amido]benzoate

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

F681-0635

Molecular Formula

C23H24N4O4 (C23 H24 N4 O4)

Compound Name

ethyl 3-[1-(3-oxo-3,4-dihydroquinoxalin-2-yl)piperidine-3-amido]benzoate

IUPAC name

ethyl 3-[1-(3-oxo-34-dihydroquinoxalin-2-yl)piperidine-3-amido]benzoate

SMILES

CCOC(c1cccc(NC(C(CCC2)CN2C2=Nc(cccc3)c3NC2=O)=O)c1)=O

InChI

InChI=1S/C23H24N4O4/c1-2-31-23(30)15-7-5-9-17(13-15)24-21(28)16-8-6-12-27(14-16)20-22(29)26-19-11-4-3-10-18(19)25-20/h3-5,7,9-11,13,16H,2,6,8,12,14H2,1H3,(H,24,28)(H,26,29)

InChI Key

UQHHQEARHGSIML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27184447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.035

Distribution Coefficient, logD

3.035

Water Solubility, LogSw

-3.44

Polar Surface Area

79.773

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

F681-0635 in Drug Discovery

Included in Screening Libraries

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with F681-0635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F681-0635?
Check Price and Availability of F681-0635, 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 F681-0635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F681-0635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F681-0635
  • 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 F681-0635 available by request