S635-0455 Screening compound: 1-[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]-2,2-dimethyl-1-propanone

S635-0455 Screening compound: 1-[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]-2,2-dimethyl-1-propanone
S635-0455 Screening compound: 1-[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]-2,2-dimethyl-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S635-0455
1-[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]-2,2-dimethyl-1-propanone

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

S635-0455

Molecular Formula

C21H32N2O2 (C21 H32 N2 O2)

Compound Name

1-[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]-2,2-dimethyl-1-propanone

IUPAC name

1-[2-benzyl-4-(hydroxymethyl)-28-diazaspiro[4.5]decan-8-yl]-22-dimethylpropan-1-one

SMILES

CC(C)(C)C(N(CC1)CCC11C(CO)CN(Cc2ccccc2)C1)=O

InChI

InChI=1S/C21H32N2O2/c1-20(2,3)19(25)23-11-9-21(10-12-23)16-22(14-18(21)15-24)13-17-7-5-4-6-8-17/h4-8,18,24H,9-16H2,1-3H3/t18-/m1/s1

InChI Key

MIECJGZIMHMFRJ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD29016729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.463

Distribution Coefficient, logD

-0.883

Water Solubility, LogSw

-2.21

Polar Surface Area

37.967

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

10.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S635-0455 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S635-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S635-0455?
Check Price and Availability of S635-0455, 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 S635-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S635-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S635-0455
  • 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 S635-0455 available by request