SC42-0658 Screening compound: N~1~-{4-[(4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-1-oxa-9-azaspiro[5.5]undec-9-yl)carbonyl]phenyl}acetamide

SC42-0658 Screening compound: N~1~-{4-[(4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-1-oxa-9-azaspiro[5.5]undec-9-yl)carbonyl]phenyl}acetamide
SC42-0658 Screening compound: N~1~-{4-[(4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-1-oxa-9-azaspiro[5.5]undec-9-yl)carbonyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC42-0658
N~1~-{4-[(4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-1-oxa-9-azaspiro[5.5]undec-9-yl)carbonyl]phenyl}acetamide

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

SC42-0658

Molecular Formula

C23H30N4O5 (C23 H30 N4 O5)

Compound Name

N~1~-{4-[(4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-1-oxa-9-azaspiro[5.5]undec-9-yl)carbonyl]phenyl}acetamide

IUPAC name

N-[4-(4-{[5-(methoxymethyl)-124-oxadiazol-3-yl]methyl}-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)phenyl]acetamide

SMILES

CC(Nc(cc1)ccc1C(N(CC1)CCC11OCCC(Cc2noc(COC)n2)C1)=O)=O

InChI

InChI=1S/C23H30N4O5/c1-16(28)24-19-5-3-18(4-6-19)22(29)27-10-8-23(9-11-27)14-17(7-12-31-23)13-20-25-21(15-30-2)32-26-20/h3-6,17H,7-15H2,1-2H3,(H,24,28)/t17-/m0/s1

InChI Key

KDSWCWZDEPXEAP-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32257556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.504

Distribution Coefficient, logD

1.504

Water Solubility, LogSw

-1.95

Polar Surface Area

87.508

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.52

References: we are preparing a list of scientific research reports with SC42-0658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC42-0658?
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What is the minimum amount of SC42-0658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC42-0658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC42-0658
  • 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 SC42-0658 available by request