J500-0353 Screening compound: 2-(3,5-dimethylbenzoyl)-N~4~-isopropyl-2-azaspiro[4.4]nonane-4-carboxamide

J500-0353 Screening compound: 2-(3,5-dimethylbenzoyl)-N~4~-isopropyl-2-azaspiro[4.4]nonane-4-carboxamide
J500-0353 Screening compound: 2-(3,5-dimethylbenzoyl)-N~4~-isopropyl-2-azaspiro[4.4]nonane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J500-0353
2-(3,5-dimethylbenzoyl)-N~4~-isopropyl-2-azaspiro[4.4]nonane-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

J500-0353

Molecular Formula

C21H30N2O2 (C21 H30 N2 O2)

Compound Name

2-(3,5-dimethylbenzoyl)-N~4~-isopropyl-2-azaspiro[4.4]nonane-4-carboxamide

IUPAC name

2-(35-dimethylbenzoyl)-N-(propan-2-yl)-2-azaspiro[4.4]nonane-4-carboxamide

SMILES

CC(C)NC(C(C1)C2(CCCC2)CN1C(c1cc(C)cc(C)c1)=O)=O

InChI

InChI=1S/C21H30N2O2/c1-14(2)22-19(24)18-12-23(13-21(18)7-5-6-8-21)20(25)17-10-15(3)9-16(4)11-17/h9-11,14,18H,5-8,12-13H2,1-4H3,(H,22,24)/t18-/m0/s1

InChI Key

IILADRWIESBGHV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32223895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.946

Distribution Coefficient, logD

2.946

Water Solubility, LogSw

-3.17

Polar Surface Area

41.065

Acid Dissociation Constant (pKa)

14.43

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

J500-0353 in Drug Discovery

Included in Screening Libraries

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 J500-0353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J500-0353?
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What is the minimum amount of J500-0353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J500-0353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J500-0353
  • 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 J500-0353 available by request