SC44-0005 Screening compound: 2-({9-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}oxy)-N,N-dimethylacetamide

SC44-0005 Screening compound: 2-({9-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}oxy)-N,N-dimethylacetamide
SC44-0005 Screening compound: 2-({9-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}oxy)-N,N-dimethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC44-0005
2-({9-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-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

SC44-0005

Molecular Formula

C18H30N4O5S (C18 H30 N4 O5 S)

Compound Name

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

IUPAC name

2-({9-[(12-dimethyl-1H-imidazol-4-yl)sulfonyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}oxy)-NN-dimethylacetamide

SMILES

Cc1nc(S(N(CC2)CCC2(C2)OCCC2OCC(N(C)C)=O)(=O)=O)cn1C

InChI

InChI=1S/C18H30N4O5S/c1-14-19-16(12-21(14)4)28(24,25)22-8-6-18(7-9-22)11-15(5-10-27-18)26-13-17(23)20(2)3/h12,15H,5-11,13H2,1-4H3/t15-/m1/s1

InChI Key

MUVYLSGSWBUMKK-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32257929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.466

Distribution Coefficient, logD

-0.466

Water Solubility, LogSw

-1.10

Polar Surface Area

73.387

Acid Dissociation Constant (pKa)

21.27

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.78

SC44-0005 in Drug Discovery

Included in Screening Libraries

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 SC44-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC44-0005?
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What is the minimum amount of SC44-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC44-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC44-0005
  • 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 SC44-0005 available by request