SC42-0047 Screening compound: N~9~-benzyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

SC42-0047 Screening compound: N~9~-benzyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SC42-0047 Screening compound: N~9~-benzyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC42-0047
N~9~-benzyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-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

SC42-0047

Molecular Formula

C21H28N4O3 (C21 H28 N4 O3)

Compound Name

N~9~-benzyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

IUPAC name

N-benzyl-4-[(5-methyl-124-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

SMILES

Cc1nc(CC2CC(CC3)(CCN3C(NCc3ccccc3)=O)OCC2)no1

InChI

InChI=1S/C21H28N4O3/c1-16-23-19(24-28-16)13-18-7-12-27-21(14-18)8-10-25(11-9-21)20(26)22-15-17-5-3-2-4-6-17/h2-6,18H,7-15H2,1H3,(H,22,26)/t18-/m0/s1

InChI Key

JUTPHSBTWPNKSR-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32258247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.520

Distribution Coefficient, logD

2.520

Water Solubility, LogSw

-2.58

Polar Surface Area

65.527

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

SC42-0047 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 SC42-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC42-0047?
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What is the minimum amount of SC42-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC42-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC42-0047
  • 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 SC42-0047 available by request