F208-0742 Screening compound: (3E)-2-(2-chlorophenyl)-4-(piperidin-1-yl)-3-[(2,4,6-trimethylphenyl)imino]-2-azaspiro[4.5]decane-1-thione

F208-0742 Screening compound: (3E)-2-(2-chlorophenyl)-4-(piperidin-1-yl)-3-[(2,4,6-trimethylphenyl)imino]-2-azaspiro[4.5]decane-1-thione
F208-0742 Screening compound: (3E)-2-(2-chlorophenyl)-4-(piperidin-1-yl)-3-[(2,4,6-trimethylphenyl)imino]-2-azaspiro[4.5]decane-1-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound F208-0742
(3E)-2-(2-chlorophenyl)-4-(piperidin-1-yl)-3-[(2,4,6-trimethylphenyl)imino]-2-azaspiro[4.5]decane-1-thione

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

F208-0742

Molecular Formula

C29H36ClN3S (C29 H36 ClN3 S)

Compound Name

(3E)-2-(2-chlorophenyl)-4-(piperidin-1-yl)-3-[(2,4,6-trimethylphenyl)imino]-2-azaspiro[4.5]decane-1-thione

IUPAC name

(3E)-2-(2-chlorophenyl)-4-(piperidin-1-yl)-3-[(246-trimethylphenyl)imino]-2-azaspiro[4.5]decane-1-thione

SMILES

Cc(cc1C)cc(C)c1/N=C(\C(C1(CCCCC1)C1=S)N2CCCCC2)/N1c(cccc1)c1Cl

InChI

InChI=1S/C29H36ClN3S/c1-20-18-21(2)25(22(3)19-20)31-27-26(32-16-10-5-11-17-32)29(14-8-4-9-15-29)28(34)33(27)24-13-7-6-12-23(24)30/h6-7,12-13,18-19,26H,4-5,8-11,14-17H2,1-3H3/t26-/m0/s1

InChI Key

MAEVTEJGYXYWIL-SANMLTNESA-N

MDL Number (MFCD)

MFCD14944795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.14

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.937

Distribution Coefficient, logD

7.937

Water Solubility, LogSw

-6.53

Polar Surface Area

10.360

Acid Dissociation Constant (pKa)

17.07

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.70

F208-0742 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 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 F208-0742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F208-0742?
Check Price and Availability of F208-0742, 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 F208-0742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F208-0742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F208-0742
  • 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 F208-0742 available by request