S635-1616 Screening compound: [8-(4-chloro-3-fluorobenzyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol

S635-1616 Screening compound: [8-(4-chloro-3-fluorobenzyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
S635-1616 Screening compound: [8-(4-chloro-3-fluorobenzyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S635-1616
[8-(4-chloro-3-fluorobenzyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol

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

S635-1616

Molecular Formula

C19H28ClFN2O2 (C19 H28 ClFN2 O2)

Compound Name

[8-(4-chloro-3-fluorobenzyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol

IUPAC name

{8-[(4-chloro-3-fluorophenyl)methyl]-2-(2-methoxyethyl)-28-diazaspiro[4.5]decan-4-yl}methanol

SMILES

COCCN1CC2(CCN(Cc(cc3)cc(F)c3Cl)CC2)C(CO)C1

InChI

InChI=1S/C19H28ClFN2O2/c1-25-9-8-23-12-16(13-24)19(14-23)4-6-22(7-5-19)11-15-2-3-17(20)18(21)10-15/h2-3,10,16,24H,4-9,11-14H2,1H3/t16-/m1/s1

InChI Key

RMTWCBMGVOOGDL-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD29016985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.89

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

2.188

Distribution Coefficient, logD

-1.535

Water Solubility, LogSw

-2.71

Polar Surface Area

33.372

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

11.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.42

S635-1616 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S635-1616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S635-1616?
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What is the minimum amount of S635-1616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S635-1616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S635-1616
  • 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 S635-1616 available by request