SC44-0168 Screening compound: 2-{[9-(4-isopropylbenzyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}-N,N-dimethylacetamide

SC44-0168 Screening compound: 2-{[9-(4-isopropylbenzyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}-N,N-dimethylacetamide
SC44-0168 Screening compound: 2-{[9-(4-isopropylbenzyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}-N,N-dimethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC44-0168
2-{[9-(4-isopropylbenzyl)-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

SC44-0168

Molecular Formula

C23H36N2O3 (C23 H36 N2 O3)

Compound Name

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

IUPAC name

NN-dimethyl-2-[(9-{[4-(propan-2-yl)phenyl]methyl}-1-oxa-9-azaspiro[5.5]undecan-4-yl)oxy]acetamide

SMILES

CC(C)c1ccc(CN(CC2)CCC2(C2)OCCC2OCC(N(C)C)=O)cc1

InChI

InChI=1S/C23H36N2O3/c1-18(2)20-7-5-19(6-8-20)16-25-12-10-23(11-13-25)15-21(9-14-28-23)27-17-22(26)24(3)4/h5-8,18,21H,9-17H2,1-4H3/t21-/m0/s1

InChI Key

KDZSTTVURVRCJF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD32259243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.664

Distribution Coefficient, logD

1.078

Water Solubility, LogSw

-2.72

Polar Surface Area

33.059

Acid Dissociation Constant (pKa)

21.27

Base Dissociation Constant (pKb)

8.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.57

SC44-0168 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC44-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC44-0168?
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What is the minimum amount of SC44-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC44-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC44-0168
  • 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 SC44-0168 available by request