S635-4050 Screening compound: 1-{8-[(2,3-dimethoxyphenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl}ethan-1-one

S635-4050 Screening compound: 1-{8-[(2,3-dimethoxyphenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl}ethan-1-one
S635-4050 Screening compound: 1-{8-[(2,3-dimethoxyphenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S635-4050
1-{8-[(2,3-dimethoxyphenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl}ethan-1-one

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

S635-4050

Molecular Formula

C21H32N2O4 (C21 H32 N2 O4)

Compound Name

1-{8-[(2,3-dimethoxyphenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl}ethan-1-one

IUPAC name

1-{8-[(23-dimethoxyphenyl)methyl]-4-(methoxymethyl)-28-diazaspiro[4.5]decan-2-yl}ethan-1-one

SMILES

CC(N1CC2(CCN(Cc(cccc3OC)c3OC)CC2)C(COC)C1)=O

InChI

InChI=1S/C21H32N2O4/c1-16(24)23-13-18(14-25-2)21(15-23)8-10-22(11-9-21)12-17-6-5-7-19(26-3)20(17)27-4/h5-7,18H,8-15H2,1-4H3/t18-/m0/s1

InChI Key

LJKHMZMWUMGTBB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD29013402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.925

Distribution Coefficient, logD

-0.542

Water Solubility, LogSw

-2.25

Polar Surface Area

45.091

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

9.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

S635-4050 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 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)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S635-4050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S635-4050?
Check Price and Availability of S635-4050, 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 S635-4050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S635-4050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S635-4050
  • 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 S635-4050 available by request