S543-0596 Screening compound: 1-{9-cyclopropanecarbonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}-1-cyclopropyl-3-(propan-2-yl)urea

S543-0596 Screening compound: 1-{9-cyclopropanecarbonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}-1-cyclopropyl-3-(propan-2-yl)urea
S543-0596 Screening compound: 1-{9-cyclopropanecarbonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}-1-cyclopropyl-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S543-0596
1-{9-cyclopropanecarbonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}-1-cyclopropyl-3-(propan-2-yl)urea

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

S543-0596

Molecular Formula

C20H33N3O3 (C20 H33 N3 O3)

Compound Name

1-{9-cyclopropanecarbonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}-1-cyclopropyl-3-(propan-2-yl)urea

IUPAC name

1-{9-cyclopropanecarbonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}-1-cyclopropyl-3-(propan-2-yl)urea

SMILES

CC(C)NC(N(C1CC1)C1CC(CC2)(CCN2C(C2CC2)=O)OCC1)=O

InChI

InChI=1S/C20H33N3O3/c1-14(2)21-19(25)23(16-5-6-16)17-7-12-26-20(13-17)8-10-22(11-9-20)18(24)15-3-4-15/h14-17H,3-13H2,1-2H3,(H,21,25)/t17-/m0/s1

InChI Key

GPAXDJIOPDXIPU-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31990553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.359

Distribution Coefficient, logD

2.359

Water Solubility, LogSw

-2.40

Polar Surface Area

48.076

Acid Dissociation Constant (pKa)

17.74

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

90.00

S543-0596 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S543-0596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S543-0596?
Check Price and Availability of S543-0596, 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 S543-0596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S543-0596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S543-0596
  • 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 S543-0596 available by request