SC42-0108 Screening compound: N-[4-({4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}carbonyl)phenyl]acetamide

SC42-0108 Screening compound: N-[4-({4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-9-azaspiro[5.5]undec-9-yl}carbonyl)phenyl]acetamide
SC42-0108 Screening compound: N-[4-({4-[(5-methyl-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 SC42-0108
N-[4-({4-[(5-methyl-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

SC42-0108

Molecular Formula

C22H28N4O4 (C22 H28 N4 O4)

Compound Name

N-[4-({4-[(5-methyl-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-methyl-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(C)n2)C1)=O)=O

InChI

InChI=1S/C22H28N4O4/c1-15(27)23-19-5-3-18(4-6-19)21(28)26-10-8-22(9-11-26)14-17(7-12-29-22)13-20-24-16(2)30-25-20/h3-6,17H,7-14H2,1-2H3,(H,23,27)/t17-/m0/s1

InChI Key

QDMQQXLHCCRKSL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32258841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.733

Distribution Coefficient, logD

1.733

Water Solubility, LogSw

-2.21

Polar Surface Area

78.646

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

References: we are preparing a list of scientific research reports with SC42-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC42-0108?
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What is the minimum amount of SC42-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC42-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC42-0108
  • 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 SC42-0108 available by request