SA64-0797 Screening compound: N-{[9-(3-cyclopentenylcarbonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]methyl}benzamide

SA64-0797 Screening compound: N-{[9-(3-cyclopentenylcarbonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]methyl}benzamide
SA64-0797 Screening compound: N-{[9-(3-cyclopentenylcarbonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA64-0797
N-{[9-(3-cyclopentenylcarbonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]methyl}benzamide

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

SA64-0797

Molecular Formula

C23H30N2O3 (C23 H30 N2 O3)

Compound Name

N-{[9-(3-cyclopentenylcarbonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]methyl}benzamide

IUPAC name

N-{[9-(cyclopent-3-ene-1-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methyl}benzamide

SMILES

O=C(C1CC=CC1)N(CC1)CCC11OCCC(CNC(c2ccccc2)=O)C1

InChI

InChI=1S/C23H30N2O3/c26-21(19-6-2-1-3-7-19)24-17-18-10-15-28-23(16-18)11-13-25(14-12-23)22(27)20-8-4-5-9-20/h1-7,18,20H,8-17H2,(H,24,26)/t18-/m0/s1

InChI Key

RBUBZIQGDOMEDS-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32239121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.664

Distribution Coefficient, logD

2.664

Water Solubility, LogSw

-2.92

Polar Surface Area

48.460

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.52

SA64-0797 in Drug Discovery

Included in Screening Libraries

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 SA64-0797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA64-0797?
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What is the minimum amount of SA64-0797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA64-0797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA64-0797
  • 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 SA64-0797 available by request