8016-9304 Screening compound: N~4~-{4-[(cyclohexylamino)carbonyl]phenyl}-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

8016-9304 Screening compound: N~4~-{4-[(cyclohexylamino)carbonyl]phenyl}-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
8016-9304 Screening compound: N~4~-{4-[(cyclohexylamino)carbonyl]phenyl}-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9304
N~4~-{4-[(cyclohexylamino)carbonyl]phenyl}-2-oxo-1-oxaspiro[4.5]decane-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

8016-9304

Molecular Formula

C23H30N2O4 (C23 H30 N2 O4)

Compound Name

N~4~-{4-[(cyclohexylamino)carbonyl]phenyl}-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

IUPAC name

N-[4-(cyclohexylcarbamoyl)phenyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

SMILES

O=C(C(C1)C2(CCCCC2)OC1=O)Nc(cc1)ccc1C(NC1CCCCC1)=O

InChI

InChI=1S/C23H30N2O4/c26-20-15-19(23(29-20)13-5-2-6-14-23)22(28)25-18-11-9-16(10-12-18)21(27)24-17-7-3-1-4-8-17/h9-12,17,19H,1-8,13-15H2,(H,24,27)(H,25,28)/t19-/m0/s1

InChI Key

ISJYHEHKVDCHRQ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD05860379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.289

Distribution Coefficient, logD

3.284

Water Solubility, LogSw

-3.65

Polar Surface Area

67.780

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.87

8016-9304 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8016-9304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9304?
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What is the minimum amount of 8016-9304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9304
  • 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 8016-9304 available by request