SA57-0090 Screening compound: 9-cyclopentanecarbonyl-4-(pyrimidin-2-yloxy)-1-oxa-9-azaspiro[5.5]undecane

SA57-0090 Screening compound: 9-cyclopentanecarbonyl-4-(pyrimidin-2-yloxy)-1-oxa-9-azaspiro[5.5]undecane
SA57-0090 Screening compound: 9-cyclopentanecarbonyl-4-(pyrimidin-2-yloxy)-1-oxa-9-azaspiro[5.5]undecane alternative view

Chemical Structure Depiction of ChemDiv screening compound SA57-0090
9-cyclopentanecarbonyl-4-(pyrimidin-2-yloxy)-1-oxa-9-azaspiro[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

SA57-0090

Molecular Formula

C19H27N3O3 (C19 H27 N3 O3)

Compound Name

9-cyclopentanecarbonyl-4-(pyrimidin-2-yloxy)-1-oxa-9-azaspiro[5.5]undecane

IUPAC name

9-cyclopentanecarbonyl-4-(pyrimidin-2-yloxy)-1-oxa-9-azaspiro[5.5]undecane

SMILES

O=C(C1CCCC1)N(CC1)CCC1(C1)OCCC1Oc1ncccn1

InChI

InChI=1S/C19H27N3O3/c23-17(15-4-1-2-5-15)22-11-7-19(8-12-22)14-16(6-13-24-19)25-18-20-9-3-10-21-18/h3,9-10,15-16H,1-2,4-8,11-14H2/t16-/m1/s1

InChI Key

VMIRDMUSWBVVFT-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32002544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.798

Distribution Coefficient, logD

1.798

Water Solubility, LogSw

-1.85

Polar Surface Area

49.545

Acid Dissociation Constant (pKa)

21.92

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.68

SA57-0090 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA57-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA57-0090?
Check Price and Availability of SA57-0090, 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 SA57-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA57-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA57-0090
  • 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 SA57-0090 available by request