F448-0404 Screening compound: 1-ethyl-3-{4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-1,2-dihydroquinoxalin-2-one

F448-0404 Screening compound: 1-ethyl-3-{4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-1,2-dihydroquinoxalin-2-one
F448-0404 Screening compound: 1-ethyl-3-{4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-1,2-dihydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F448-0404
1-ethyl-3-{4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-1,2-dihydroquinoxalin-2-one

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

F448-0404

Molecular Formula

C28H35N5O2 (C28 H35 N5 O2)

Compound Name

1-ethyl-3-{4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-1,2-dihydroquinoxalin-2-one

IUPAC name

n/a

SMILES

CCN(c(cccc1)c1N=C1N(CC2)CCC2C(N(CC2)CC(C)N2c2cc(C)ccc2)=O)C1=O

InChI

InChI=1S/C28H35N5O2/c1-4-32-25-11-6-5-10-24(25)29-26(28(32)35)30-14-12-22(13-15-30)27(34)31-16-17-33(21(3)19-31)23-9-7-8-20(2)18-23/h5-11,18,21-22H,4,12-17,19H2,1-3H3/t21-/m0/s1

InChI Key

RRDPQRDRGZMONX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27129409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.758

Distribution Coefficient, logD

3.753

Water Solubility, LogSw

-3.85

Polar Surface Area

45.343

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

7.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.40

F448-0404 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 F448-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F448-0404?
Check Price and Availability of F448-0404, 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 F448-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F448-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F448-0404
  • 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 F448-0404 available by request