S511-0294 Screening compound: 1-(1-pyrrolidinyl)-2-{9-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}-1-ethanone

S511-0294 Screening compound: 1-(1-pyrrolidinyl)-2-{9-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}-1-ethanone
S511-0294 Screening compound: 1-(1-pyrrolidinyl)-2-{9-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S511-0294
1-(1-pyrrolidinyl)-2-{9-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}-1-ethanone

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

S511-0294

Molecular Formula

C21H34N4O4S (C21 H34 N4 O4 S)

Compound Name

1-(1-pyrrolidinyl)-2-{9-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}-1-ethanone

IUPAC name

1-(pyrrolidin-1-yl)-2-{9-[(135-trimethyl-1H-pyrazol-4-yl)sulfonyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}ethan-1-one

SMILES

Cc(n(C)nc1C)c1S(N(CC1)CCC11OCCC(CC(N2CCCC2)=O)C1)(=O)=O

InChI

InChI=1S/C21H34N4O4S/c1-16-20(17(2)23(3)22-16)30(27,28)25-11-7-21(8-12-25)15-18(6-13-29-21)14-19(26)24-9-4-5-10-24/h18H,4-15H2,1-3H3/t18-/m0/s1

InChI Key

BDIKWQWVRVQYMC-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.057

Distribution Coefficient, logD

1.057

Water Solubility, LogSw

-1.80

Polar Surface Area

69.878

Acid Dissociation Constant (pKa)

24.84

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

80.95

S511-0294 in Drug Discovery

Included in Screening Libraries

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

PPI Helix Turn 3D-Mimetics Library (71298 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

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S511-0294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S511-0294?
Check Price and Availability of S511-0294, 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 S511-0294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S511-0294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S511-0294
  • 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 S511-0294 available by request