SC42-0621 Screening compound: (4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-1-oxa-9-azaspiro[5.5]undec-9-yl)(1-methylcyclohexyl)methanone

SC42-0621 Screening compound: (4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-1-oxa-9-azaspiro[5.5]undec-9-yl)(1-methylcyclohexyl)methanone
SC42-0621 Screening compound: (4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-1-oxa-9-azaspiro[5.5]undec-9-yl)(1-methylcyclohexyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC42-0621
(4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-1-oxa-9-azaspiro[5.5]undec-9-yl)(1-methylcyclohexyl)methanone

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

SC42-0621

Molecular Formula

C22H35N3O4 (C22 H35 N3 O4)

Compound Name

(4-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-1-oxa-9-azaspiro[5.5]undec-9-yl)(1-methylcyclohexyl)methanone

IUPAC name

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

SMILES

CC1(CCCCC1)C(N(CC1)CCC11OCCC(Cc2noc(COC)n2)C1)=O

InChI

InChI=1S/C22H35N3O4/c1-21(7-4-3-5-8-21)20(26)25-11-9-22(10-12-25)15-17(6-13-28-22)14-18-23-19(16-27-2)29-24-18/h17H,3-16H2,1-2H3/t17-/m0/s1

InChI Key

HWVJERJGZHLLPH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32259213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.083

Distribution Coefficient, logD

3.083

Water Solubility, LogSw

-2.91

Polar Surface Area

64.438

Acid Dissociation Constant (pKa)

26.04

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

86.36

SC42-0621 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SC42-0621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC42-0621?
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What is the minimum amount of SC42-0621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC42-0621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC42-0621
  • 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 SC42-0621 available by request