SA40-0648 Screening compound: 6-methyl-2-(2-phenoxyacetyl)-N-(propan-2-yl)-2,6-diazaspiro[3.4]octane-7-carboxamide

SA40-0648 Screening compound: 6-methyl-2-(2-phenoxyacetyl)-N-(propan-2-yl)-2,6-diazaspiro[3.4]octane-7-carboxamide
SA40-0648 Screening compound: 6-methyl-2-(2-phenoxyacetyl)-N-(propan-2-yl)-2,6-diazaspiro[3.4]octane-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA40-0648
6-methyl-2-(2-phenoxyacetyl)-N-(propan-2-yl)-2,6-diazaspiro[3.4]octane-7-carboxamide

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

SA40-0648

Molecular Formula

C19H27N3O3 (C19 H27 N3 O3)

Compound Name

6-methyl-2-(2-phenoxyacetyl)-N-(propan-2-yl)-2,6-diazaspiro[3.4]octane-7-carboxamide

IUPAC name

6-methyl-2-(2-phenoxyacetyl)-N-(propan-2-yl)-26-diazaspiro[3.4]octane-7-carboxamide

SMILES

CC(C)NC(C1N(C)CC(C2)(CN2C(COc2ccccc2)=O)C1)=O

InChI

InChI=1S/C19H27N3O3/c1-14(2)20-18(24)16-9-19(11-21(16)3)12-22(13-19)17(23)10-25-15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3,(H,20,24)/t16-/m0/s1

InChI Key

DXPPLWCXVXSUAV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32237092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.866

Distribution Coefficient, logD

-0.789

Water Solubility, LogSw

-1.77

Polar Surface Area

51.322

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

SA40-0648 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with SA40-0648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA40-0648?
Check Price and Availability of SA40-0648, 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 SA40-0648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA40-0648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA40-0648
  • 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 SA40-0648 available by request