SA45-1137 Screening compound: 9-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N,N,2-trimethyl-2,9-diazaspiro[5.5]undecane-1-carboxamide

SA45-1137 Screening compound: 9-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N,N,2-trimethyl-2,9-diazaspiro[5.5]undecane-1-carboxamide
SA45-1137 Screening compound: 9-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N,N,2-trimethyl-2,9-diazaspiro[5.5]undecane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA45-1137
9-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N,N,2-trimethyl-2,9-diazaspiro[5.5]undecane-1-carboxamide

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

SA45-1137

Molecular Formula

C18H30N4O4S (C18 H30 N4 O4 S)

Compound Name

9-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N,N,2-trimethyl-2,9-diazaspiro[5.5]undecane-1-carboxamide

IUPAC name

9-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-NN2-trimethyl-29-diazaspiro[5.5]undecane-1-carboxamide

SMILES

Cc1noc(C)c1S(N(CC1)CCC11C(C(N(C)C)=O)N(C)CCC1)(=O)=O

InChI

InChI=1S/C18H30N4O4S/c1-13-15(14(2)26-19-13)27(24,25)22-11-8-18(9-12-22)7-6-10-21(5)16(18)17(23)20(3)4/h16H,6-12H2,1-5H3/t16-/m1/s1

InChI Key

KUWYJHWVEIQREN-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32237541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.376

Distribution Coefficient, logD

-0.865

Water Solubility, LogSw

-0.96

Polar Surface Area

73.119

Acid Dissociation Constant (pKa)

24.35

Base Dissociation Constant (pKb)

7.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.78

SA45-1137 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA45-1137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA45-1137?
Check Price and Availability of SA45-1137, 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 SA45-1137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA45-1137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA45-1137
  • 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 SA45-1137 available by request