S543-0589 Screening compound: 1-cyclopropyl-1-[9-(3-methylbutanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(propan-2-yl)urea

S543-0589 Screening compound: 1-cyclopropyl-1-[9-(3-methylbutanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(propan-2-yl)urea
S543-0589 Screening compound: 1-cyclopropyl-1-[9-(3-methylbutanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S543-0589
1-cyclopropyl-1-[9-(3-methylbutanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-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

S543-0589

Molecular Formula

C21H37N3O3 (C21 H37 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CC(N(CC1)CCC1(C1)OCCC1N(C1CC1)C(NC(C)C)=O)=O

InChI

InChI=1S/C21H37N3O3/c1-15(2)13-19(25)23-10-8-21(9-11-23)14-18(7-12-27-21)24(17-5-6-17)20(26)22-16(3)4/h15-18H,5-14H2,1-4H3,(H,22,26)/t18-/m0/s1

InChI Key

XGRGUNCPFJJYJF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31983427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.880

Distribution Coefficient, logD

2.879

Water Solubility, LogSw

-3.22

Polar Surface Area

47.297

Acid Dissociation Constant (pKa)

17.74

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

90.48

S543-0589 in Drug Discovery

Included in Screening Libraries

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

Bcl2-PPI Inhibitors Library (12246 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S543-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S543-0589?
Check Price and Availability of S543-0589, 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 S543-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S543-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S543-0589
  • 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 S543-0589 available by request