F681-0495 Screening compound: 1-(4-methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)-N~3~-[3-(propylsulfanyl)propyl]-3-piperidinecarboxamide

F681-0495 Screening compound: 1-(4-methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)-N~3~-[3-(propylsulfanyl)propyl]-3-piperidinecarboxamide
F681-0495 Screening compound: 1-(4-methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)-N~3~-[3-(propylsulfanyl)propyl]-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F681-0495
1-(4-methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)-N~3~-[3-(propylsulfanyl)propyl]-3-piperidinecarboxamide

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

F681-0495

Molecular Formula

C21H30N4O2S (C21 H30 N4 O2 S)

Compound Name

1-(4-methyl-3-oxo-3,4-dihydro-2-quinoxalinyl)-N~3~-[3-(propylsulfanyl)propyl]-3-piperidinecarboxamide

IUPAC name

1-(4-methyl-3-oxo-34-dihydroquinoxalin-2-yl)-N-[3-(propylsulfanyl)propyl]piperidine-3-carboxamide

SMILES

CCCSCCCNC(C(CCC1)CN1C1=Nc(cccc2)c2N(C)C1=O)=O

InChI

InChI=1S/C21H30N4O2S/c1-3-13-28-14-7-11-22-20(26)16-8-6-12-25(15-16)19-21(27)24(2)18-10-5-4-9-17(18)23-19/h4-5,9-10,16H,3,6-8,11-15H2,1-2H3,(H,22,26)/t16-/m0/s1

InChI Key

RPDPHKLUODSJFV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27184400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.889

Distribution Coefficient, logD

1.889

Water Solubility, LogSw

-2.39

Polar Surface Area

50.717

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

F681-0495 in Drug Discovery

Included in Screening Libraries

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 F681-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F681-0495?
Check Price and Availability of F681-0495, 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 F681-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F681-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F681-0495
  • 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 F681-0495 available by request