S635-3179 Screening compound: 4-{[4-(METHOXYMETHYL)-2,8-DIAZASPIRO[4.5]DEC-2-YL]METHYL}PHENYL TRIFLUOROMETHYL ETHER

S635-3179 Screening compound: 4-{[4-(METHOXYMETHYL)-2,8-DIAZASPIRO[4.5]DEC-2-YL]METHYL}PHENYL TRIFLUOROMETHYL ETHER
S635-3179 Screening compound: 4-{[4-(METHOXYMETHYL)-2,8-DIAZASPIRO[4.5]DEC-2-YL]METHYL}PHENYL TRIFLUOROMETHYL ETHER alternative view

Chemical Structure Depiction of ChemDiv screening compound S635-3179
4-{[4-(METHOXYMETHYL)-2,8-DIAZASPIRO[4.5]DEC-2-YL]METHYL}PHENYL TRIFLUOROMETHYL ETHER

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

S635-3179

Molecular Formula

C18H25F3N2O2 (C18 H25 F3 N2 O2)

Compound Name

4-{[4-(METHOXYMETHYL)-2,8-DIAZASPIRO[4.5]DEC-2-YL]METHYL}PHENYL TRIFLUOROMETHYL ETHER

IUPAC name

4-(methoxymethyl)-2-{[4-(trifluoromethoxy)phenyl]methyl}-28-diazaspiro[4.5]decane

SMILES

COCC(CN(Cc(cc1)ccc1OC(F)(F)F)C1)C11CCNCC1

InChI

InChI=1S/C18H25F3N2O2/c1-24-12-15-11-23(13-17(15)6-8-22-9-7-17)10-14-2-4-16(5-3-14)25-18(19,20)21/h2-5,15,22H,6-13H2,1H3/t15-/m0/s1

InChI Key

KZDVKBNLBSAQQB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29017113

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

358.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.394

Distribution Coefficient, logD

-0.678

Water Solubility, LogSw

-2.64

Polar Surface Area

30.446

Acid Dissociation Constant (pKa)

27.39

Base Dissociation Constant (pKb)

10.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S635-3179 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S635-3179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S635-3179?
Check Price and Availability of S635-3179, 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 S635-3179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S635-3179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S635-3179
  • 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 S635-3179 available by request