J500-0311 Screening compound: N~2~-(3-chloro-4-fluorophenyl)-N~4~-(2-methoxyethyl)-2-azaspiro[4.4]nonane-2,4-dicarboxamide

J500-0311 Screening compound: N~2~-(3-chloro-4-fluorophenyl)-N~4~-(2-methoxyethyl)-2-azaspiro[4.4]nonane-2,4-dicarboxamide
J500-0311 Screening compound: N~2~-(3-chloro-4-fluorophenyl)-N~4~-(2-methoxyethyl)-2-azaspiro[4.4]nonane-2,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J500-0311
N~2~-(3-chloro-4-fluorophenyl)-N~4~-(2-methoxyethyl)-2-azaspiro[4.4]nonane-2,4-dicarboxamide

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

J500-0311

Molecular Formula

C19H25ClFN3O3 (C19 H25 ClFN3 O3)

Compound Name

N~2~-(3-chloro-4-fluorophenyl)-N~4~-(2-methoxyethyl)-2-azaspiro[4.4]nonane-2,4-dicarboxamide

IUPAC name

N2-(3-chloro-4-fluorophenyl)-N4-(2-methoxyethyl)-2-azaspiro[4.4]nonane-24-dicarboxamide

SMILES

COCCNC(C(C1)C2(CCCC2)CN1C(Nc(cc1)cc(Cl)c1F)=O)=O

InChI

InChI=1S/C19H25ClFN3O3/c1-27-9-8-22-17(25)14-11-24(12-19(14)6-2-3-7-19)18(26)23-13-4-5-16(21)15(20)10-13/h4-5,10,14H,2-3,6-9,11-12H2,1H3,(H,22,25)(H,23,26)/t14-/m0/s1

InChI Key

HHTRPUHDCYXGRR-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32223825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.518

Distribution Coefficient, logD

2.518

Water Solubility, LogSw

-3.45

Polar Surface Area

59.096

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

J500-0311 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J500-0311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J500-0311?
Check Price and Availability of J500-0311, 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 J500-0311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J500-0311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J500-0311
  • 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 J500-0311 available by request