SA45-0850 Screening compound: 2-methyl-9-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecane

SA45-0850 Screening compound: 2-methyl-9-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecane
SA45-0850 Screening compound: 2-methyl-9-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecane alternative view

Chemical Structure Depiction of ChemDiv screening compound SA45-0850
2-methyl-9-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecane

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

SA45-0850

Molecular Formula

C19H31N5O3S (C19 H31 N5 O3 S)

Compound Name

2-methyl-9-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecane

IUPAC name

2-methyl-9-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1-(pyrrolidine-1-carbonyl)-29-diazaspiro[5.5]undecane

SMILES

Cn1cnc(S(N(CC2)CCC22C(C(N3CCCC3)=O)N(C)CCC2)(=O)=O)c1

InChI

InChI=1S/C19H31N5O3S/c1-21-14-16(20-15-21)28(26,27)24-12-7-19(8-13-24)6-5-9-22(2)17(19)18(25)23-10-3-4-11-23/h14-15,17H,3-13H2,1-2H3/t17-/m1/s1

InChI Key

RIJBYHKIZFVXDX-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32236935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.095

Distribution Coefficient, logD

-1.416

Water Solubility, LogSw

-1.42

Polar Surface Area

64.506

Acid Dissociation Constant (pKa)

25.51

Base Dissociation Constant (pKb)

8.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.95

SA45-0850 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)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA45-0850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA45-0850?
Check Price and Availability of SA45-0850, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SA45-0850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA45-0850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA45-0850
  • 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 SA45-0850 available by request