F208-0810 Screening compound: (3Z)-3-[(adamantan-1-yl)imino]-2-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)-2-azaspiro[4.5]decane-1-thione

F208-0810 Screening compound: (3Z)-3-[(adamantan-1-yl)imino]-2-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)-2-azaspiro[4.5]decane-1-thione
F208-0810 Screening compound: (3Z)-3-[(adamantan-1-yl)imino]-2-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)-2-azaspiro[4.5]decane-1-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound F208-0810
(3Z)-3-[(adamantan-1-yl)imino]-2-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)-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

F208-0810

Molecular Formula

C30H41ClN4S (C30 H41 ClN4 S)

Compound Name

(3Z)-3-[(adamantan-1-yl)imino]-2-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)-2-azaspiro[4.5]decane-1-thione

IUPAC name

(3Z)-3-[(adamantan-1-yl)imino]-2-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)-2-azaspiro[4.5]decane-1-thione

SMILES

CN(CC1)CCN1C(C1(CCCCC1)C(N1c(cccc2)c2Cl)=S)/C1=N/C1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C30H41ClN4S/c1-33-11-13-34(14-12-33)26-27(32-29-18-21-15-22(19-29)17-23(16-21)20-29)35(25-8-4-3-7-24(25)31)28(36)30(26)9-5-2-6-10-30/h3-4,7-8,21-23,26H,2,5-6,9-20H2,1H3/t21?,22?,23?,26-,29?/m0/s1

InChI Key

GLQLBKXUSMTBCK-LALQNZDNSA-N

MDL Number (MFCD)

MFCD14944807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.2

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.295

Distribution Coefficient, logD

6.095

Water Solubility, LogSw

-6.18

Polar Surface Area

16.250

Acid Dissociation Constant (pKa)

19.50

Base Dissociation Constant (pKb)

7.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.30

F208-0810 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 F208-0810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F208-0810?
Check Price and Availability of F208-0810, 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 F208-0810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F208-0810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F208-0810
  • 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 F208-0810 available by request