J500-0549 Screening compound: 2-(4-fluorophenyl)-1-{4-[(4-methylpiperazino)carbonyl]-2-azaspiro[4.4]non-2-yl}-1-ethanone

J500-0549 Screening compound: 2-(4-fluorophenyl)-1-{4-[(4-methylpiperazino)carbonyl]-2-azaspiro[4.4]non-2-yl}-1-ethanone
J500-0549 Screening compound: 2-(4-fluorophenyl)-1-{4-[(4-methylpiperazino)carbonyl]-2-azaspiro[4.4]non-2-yl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound J500-0549
2-(4-fluorophenyl)-1-{4-[(4-methylpiperazino)carbonyl]-2-azaspiro[4.4]non-2-yl}-1-ethanone

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

J500-0549

Molecular Formula

C22H30FN3O2 (C22 H30 FN3 O2)

Compound Name

2-(4-fluorophenyl)-1-{4-[(4-methylpiperazino)carbonyl]-2-azaspiro[4.4]non-2-yl}-1-ethanone

IUPAC name

2-(4-fluorophenyl)-1-[4-(4-methylpiperazine-1-carbonyl)-2-azaspiro[4.4]nonan-2-yl]ethan-1-one

SMILES

CN(CC1)CCN1C(C(C1)C2(CCCC2)CN1C(Cc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C22H30FN3O2/c1-24-10-12-25(13-11-24)21(28)19-15-26(16-22(19)8-2-3-9-22)20(27)14-17-4-6-18(23)7-5-17/h4-7,19H,2-3,8-16H2,1H3/t19-/m0/s1

InChI Key

LPADKCKLASHFPL-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32223761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.645

Distribution Coefficient, logD

1.297

Water Solubility, LogSw

-2.03

Polar Surface Area

37.004

Acid Dissociation Constant (pKa)

17.48

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.64

J500-0549 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with J500-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J500-0549?
Check Price and Availability of J500-0549, 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 J500-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J500-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J500-0549
  • 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 J500-0549 available by request