SC44-0178 Screening compound: 2-{[9-(ethylsulfonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}-1-(1-pyrrolidinyl)-1-ethanone

SC44-0178 Screening compound: 2-{[9-(ethylsulfonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}-1-(1-pyrrolidinyl)-1-ethanone
SC44-0178 Screening compound: 2-{[9-(ethylsulfonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}-1-(1-pyrrolidinyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC44-0178
2-{[9-(ethylsulfonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}-1-(1-pyrrolidinyl)-1-ethanone

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

SC44-0178

Molecular Formula

C17H30N2O5S (C17 H30 N2 O5 S)

Compound Name

2-{[9-(ethylsulfonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]oxy}-1-(1-pyrrolidinyl)-1-ethanone

IUPAC name

2-{[9-(ethanesulfonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]oxy}-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

CCS(N(CC1)CCC1(C1)OCCC1OCC(N1CCCC1)=O)(=O)=O

InChI

InChI=1S/C17H30N2O5S/c1-2-25(21,22)19-10-6-17(7-11-19)13-15(5-12-24-17)23-14-16(20)18-8-3-4-9-18/h15H,2-14H2,1H3/t15-/m1/s1

InChI Key

VNRPEMINHPVATI-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32259247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.591

Distribution Coefficient, logD

0.591

Water Solubility, LogSw

-1.40

Polar Surface Area

62.217

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

94.12

SC44-0178 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 SC44-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC44-0178?
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What is the minimum amount of SC44-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC44-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC44-0178
  • 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 SC44-0178 available by request