S635-1606 Screening compound: 3-{[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]dec-8-yl]methyl}benzonitrile

S635-1606 Screening compound: 3-{[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]dec-8-yl]methyl}benzonitrile
S635-1606 Screening compound: 3-{[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]dec-8-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S635-1606
3-{[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]dec-8-yl]methyl}benzonitrile

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

S635-1606

Molecular Formula

C20H29N3O2 (C20 H29 N3 O2)

Compound Name

3-{[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]dec-8-yl]methyl}benzonitrile

IUPAC name

3-{[4-(hydroxymethyl)-2-(2-methoxyethyl)-28-diazaspiro[4.5]decan-8-yl]methyl}benzonitrile

SMILES

COCCN1CC2(CCN(Cc3cc(C#N)ccc3)CC2)C(CO)C1

InChI

InChI=1S/C20H29N3O2/c1-25-10-9-23-14-19(15-24)20(16-23)5-7-22(8-6-20)13-18-4-2-3-17(11-18)12-21/h2-4,11,19,24H,5-10,13-16H2,1H3/t19-/m0/s1

InChI Key

IQCAHKDWVBHLOP-IBGZPJMESA-N

MDL Number (MFCD)

MFCD29016979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.186

Distribution Coefficient, logD

-2.537

Water Solubility, LogSw

-1.69

Polar Surface Area

50.429

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

11.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

S635-1606 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S635-1606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S635-1606?
Check Price and Availability of S635-1606, 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 S635-1606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S635-1606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S635-1606
  • 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 S635-1606 available by request