S511-1441 Screening compound: N,N-dimethyl-2-{9-[(1-methyl-1H-pyrrol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetamide

S511-1441 Screening compound: N,N-dimethyl-2-{9-[(1-methyl-1H-pyrrol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetamide
S511-1441 Screening compound: N,N-dimethyl-2-{9-[(1-methyl-1H-pyrrol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S511-1441
N,N-dimethyl-2-{9-[(1-methyl-1H-pyrrol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetamide

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

S511-1441

Molecular Formula

C19H31N3O2 (C19 H31 N3 O2)

Compound Name

N,N-dimethyl-2-{9-[(1-methyl-1H-pyrrol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetamide

IUPAC name

NN-dimethyl-2-{9-[(1-methyl-1H-pyrrol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetamide

SMILES

CN(C)C(CC1CC2(CCN(Cc3cccn3C)CC2)OCC1)=O

InChI

InChI=1S/C19H31N3O2/c1-20(2)18(23)13-16-6-12-24-19(14-16)7-10-22(11-8-19)15-17-5-4-9-21(17)3/h4-5,9,16H,6-8,10-15H2,1-3H3/t16-/m1/s1

InChI Key

QOVJZNJJKBDBMW-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD31981492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.700

Distribution Coefficient, logD

1.262

Water Solubility, LogSw

-1.98

Polar Surface Area

28.944

Acid Dissociation Constant (pKa)

23.68

Base Dissociation Constant (pKb)

7.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.68

S511-1441 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S511-1441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S511-1441?
Check Price and Availability of S511-1441, 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 S511-1441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S511-1441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S511-1441
  • 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 S511-1441 available by request