SA49-0403 Screening compound: 2-{2-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-5-oxa-2-azaspiro[3.4]octan-7-yl}-1-(morpholin-4-yl)ethan-1-one

SA49-0403 Screening compound: 2-{2-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-5-oxa-2-azaspiro[3.4]octan-7-yl}-1-(morpholin-4-yl)ethan-1-one
SA49-0403 Screening compound: 2-{2-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-5-oxa-2-azaspiro[3.4]octan-7-yl}-1-(morpholin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA49-0403
2-{2-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-5-oxa-2-azaspiro[3.4]octan-7-yl}-1-(morpholin-4-yl)ethan-1-one

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

SA49-0403

Molecular Formula

C17H26N4O5S (C17 H26 N4 O5 S)

Compound Name

2-{2-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-5-oxa-2-azaspiro[3.4]octan-7-yl}-1-(morpholin-4-yl)ethan-1-one

IUPAC name

2-{2-[(12-dimethyl-1H-imidazol-4-yl)sulfonyl]-5-oxa-2-azaspiro[3.4]octan-7-yl}-1-(morpholin-4-yl)ethan-1-one

SMILES

Cc1nc(S(N(C2)CC22OCC(CC(N3CCOCC3)=O)C2)(=O)=O)cn1C

InChI

InChI=1S/C17H26N4O5S/c1-13-18-15(9-19(13)2)27(23,24)21-11-17(12-21)8-14(10-26-17)7-16(22)20-3-5-25-6-4-20/h9,14H,3-8,10-12H2,1-2H3/t14-/m1/s1

InChI Key

ULHJRDDCPABCEC-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32238355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.335

Distribution Coefficient, logD

-0.335

Water Solubility, LogSw

-1.14

Polar Surface Area

75.992

Acid Dissociation Constant (pKa)

24.93

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.47

SA49-0403 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA49-0403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA49-0403?
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What is the minimum amount of SA49-0403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA49-0403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA49-0403
  • 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 SA49-0403 available by request