SC44-0063 Screening compound: 2-{[9-(2-cyclohexylacetyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}-N,N-dimethylacetamide

SC44-0063 Screening compound: 2-{[9-(2-cyclohexylacetyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}-N,N-dimethylacetamide
SC44-0063 Screening compound: 2-{[9-(2-cyclohexylacetyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}-N,N-dimethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC44-0063
2-{[9-(2-cyclohexylacetyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}-N,N-dimethylacetamide

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

SC44-0063

Molecular Formula

C21H36N2O4 (C21 H36 N2 O4)

Compound Name

2-{[9-(2-cyclohexylacetyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}-N,N-dimethylacetamide

IUPAC name

2-{[9-(2-cyclohexylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]oxy}-NN-dimethylacetamide

SMILES

CN(C)C(COC1CC(CC2)(CCN2C(CC2CCCCC2)=O)OCC1)=O

InChI

InChI=1S/C21H36N2O4/c1-22(2)20(25)16-26-18-8-13-27-21(15-18)9-11-23(12-10-21)19(24)14-17-6-4-3-5-7-17/h17-18H,3-16H2,1-2H3/t18-/m1/s1

InChI Key

KULPANILBIXYBH-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32258414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.568

Distribution Coefficient, logD

1.568

Water Solubility, LogSw

-1.67

Polar Surface Area

45.640

Acid Dissociation Constant (pKa)

21.27

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

90.48

SC44-0063 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 SC44-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC44-0063?
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What is the minimum amount of SC44-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC44-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC44-0063
  • 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 SC44-0063 available by request