F448-1047 Screening compound: N-[(4-ethylphenyl)methyl]-1-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}piperidine-4-carboxamide

F448-1047 Screening compound: N-[(4-ethylphenyl)methyl]-1-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}piperidine-4-carboxamide
F448-1047 Screening compound: N-[(4-ethylphenyl)methyl]-1-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F448-1047
N-[(4-ethylphenyl)methyl]-1-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}piperidine-4-carboxamide

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

F448-1047

Molecular Formula

C31H34N4O2 (C31 H34 N4 O2)

Compound Name

N-[(4-ethylphenyl)methyl]-1-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}piperidine-4-carboxamide

IUPAC name

N-[(4-ethylphenyl)methyl]-1-{4-[(4-methylphenyl)methyl]-3-oxo-34-dihydroquinoxalin-2-yl}piperidine-4-carboxamide

SMILES

CCc1ccc(CNC(C(CC2)CCN2C2=Nc(cccc3)c3N(Cc3ccc(C)cc3)C2=O)=O)cc1

InChI

InChI=1S/C31H34N4O2/c1-3-23-12-14-24(15-13-23)20-32-30(36)26-16-18-34(19-17-26)29-31(37)35(21-25-10-8-22(2)9-11-25)28-7-5-4-6-27(28)33-29/h4-15,26H,3,16-21H2,1-2H3,(H,32,36)

InChI Key

AJSHKVWFACSKSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27129624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.005

Distribution Coefficient, logD

5.005

Water Solubility, LogSw

-4.47

Polar Surface Area

50.633

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.30

F448-1047 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F448-1047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F448-1047?
Check Price and Availability of F448-1047, 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 F448-1047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F448-1047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F448-1047
  • 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 F448-1047 available by request