F208-0717 Screening compound: 4-[(3E)-3-[(4-methoxyphenyl)imino]-4-(pyrrolidin-1-yl)-1-sulfanylidene-2-azaspiro[4.5]decan-2-yl]benzonitrile

F208-0717 Screening compound: 4-[(3E)-3-[(4-methoxyphenyl)imino]-4-(pyrrolidin-1-yl)-1-sulfanylidene-2-azaspiro[4.5]decan-2-yl]benzonitrile
F208-0717 Screening compound: 4-[(3E)-3-[(4-methoxyphenyl)imino]-4-(pyrrolidin-1-yl)-1-sulfanylidene-2-azaspiro[4.5]decan-2-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound F208-0717
4-[(3E)-3-[(4-methoxyphenyl)imino]-4-(pyrrolidin-1-yl)-1-sulfanylidene-2-azaspiro[4.5]decan-2-yl]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

F208-0717

Molecular Formula

C27H30N4OS (C27 H30 N4 OS)

Compound Name

4-[(3E)-3-[(4-methoxyphenyl)imino]-4-(pyrrolidin-1-yl)-1-sulfanylidene-2-azaspiro[4.5]decan-2-yl]benzonitrile

IUPAC name

4-[(3E)-3-[(4-methoxyphenyl)imino]-4-(pyrrolidin-1-yl)-1-sulfanylidene-2-azaspiro[4.5]decan-2-yl]benzonitrile

SMILES

COc(cc1)ccc1/N=C(\C(C1(CCCCC1)C1=S)N2CCCC2)/N1c(cc1)ccc1C#N

InChI

InChI=1S/C27H30N4OS/c1-32-23-13-9-21(10-14-23)29-25-24(30-17-5-6-18-30)27(15-3-2-4-16-27)26(33)31(25)22-11-7-20(19-28)8-12-22/h7-14,24H,2-6,15-18H2,1H3/t24-/m0/s1

InChI Key

PMJWAGLWEJKLAC-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14944791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.797

Distribution Coefficient, logD

4.797

Water Solubility, LogSw

-4.43

Polar Surface Area

37.023

Acid Dissociation Constant (pKa)

17.00

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

F208-0717 in Drug Discovery

Included in Screening Libraries

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

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 F208-0717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F208-0717?
Check Price and Availability of F208-0717, 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 F208-0717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F208-0717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F208-0717
  • 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 F208-0717 available by request