G587-0033 Screening compound: 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-6-one

G587-0033 Screening compound: 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-6-one
G587-0033 Screening compound: 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G587-0033
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-6-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

G587-0033

Molecular Formula

C23H25FN4O2 (C23 H25 FN4 O2)

Compound Name

3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-6-one

IUPAC name

3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5H6H6aH7H8H9H10H-pyrido[12-a]quinoxalin-6-one

SMILES

O=C(c(cc1)cc(N2)c1N(CCCC1)C1C2=O)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C23H25FN4O2/c24-17-5-7-18(8-6-17)26-11-13-27(14-12-26)23(30)16-4-9-20-19(15-16)25-22(29)21-3-1-2-10-28(20)21/h4-9,15,21H,1-3,10-14H2,(H,25,29)/t21-/m1/s1

InChI Key

YMOHGRAHCHJNGD-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD15021300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.880

Distribution Coefficient, logD

2.880

Water Solubility, LogSw

-3.38

Polar Surface Area

47.475

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

G587-0033 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G587-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G587-0033?
Check Price and Availability of G587-0033, 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 G587-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G587-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G587-0033
  • 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 G587-0033 available by request