SA46-0471 Screening compound: N-benzyl-N-methyl-2-(pyrimidine-4-carbonyl)-5-oxa-2-azaspiro[3.4]octan-7-amine

SA46-0471 Screening compound: N-benzyl-N-methyl-2-(pyrimidine-4-carbonyl)-5-oxa-2-azaspiro[3.4]octan-7-amine
SA46-0471 Screening compound: N-benzyl-N-methyl-2-(pyrimidine-4-carbonyl)-5-oxa-2-azaspiro[3.4]octan-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA46-0471
N-benzyl-N-methyl-2-(pyrimidine-4-carbonyl)-5-oxa-2-azaspiro[3.4]octan-7-amine

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

SA46-0471

Molecular Formula

C19H22N4O2 (C19 H22 N4 O2)

Compound Name

N-benzyl-N-methyl-2-(pyrimidine-4-carbonyl)-5-oxa-2-azaspiro[3.4]octan-7-amine

IUPAC name

N-benzyl-N-methyl-2-(pyrimidine-4-carbonyl)-5-oxa-2-azaspiro[3.4]octan-7-amine

SMILES

CN(Cc1ccccc1)C1COC(C2)(CN2C(c2ncncc2)=O)C1

InChI

InChI=1S/C19H22N4O2/c1-22(10-15-5-3-2-4-6-15)16-9-19(25-11-16)12-23(13-19)18(24)17-7-8-20-14-21-17/h2-8,14,16H,9-13H2,1H3/t16-/m1/s1

InChI Key

WGSRSUOUSKCQNL-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32237449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.059

Distribution Coefficient, logD

0.907

Water Solubility, LogSw

-1.39

Polar Surface Area

47.336

Acid Dissociation Constant (pKa)

26.10

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

SA46-0471 in Drug Discovery

Included in Screening Libraries

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

NOTUM (Wnt signaling) Library (3881 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA46-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA46-0471?
Check Price and Availability of SA46-0471, 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 SA46-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA46-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA46-0471
  • 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 SA46-0471 available by request