F208-0399 Screening compound: (5E)-5-[(adamantan-1-yl)imino]-3,3-dimethyl-4-(thiomorpholin-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-thione

F208-0399 Screening compound: (5E)-5-[(adamantan-1-yl)imino]-3,3-dimethyl-4-(thiomorpholin-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-thione
F208-0399 Screening compound: (5E)-5-[(adamantan-1-yl)imino]-3,3-dimethyl-4-(thiomorpholin-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound F208-0399
(5E)-5-[(adamantan-1-yl)imino]-3,3-dimethyl-4-(thiomorpholin-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-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

F208-0399

Molecular Formula

C27H34F3N3S2 (C27 H34 F3 N3 S2)

Compound Name

(5E)-5-[(adamantan-1-yl)imino]-3,3-dimethyl-4-(thiomorpholin-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-thione

IUPAC name

(5E)-5-[(adamantan-1-yl)imino]-33-dimethyl-4-(thiomorpholin-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-thione

SMILES

CC(C)(C(/C(/N1c2cc(C(F)(F)F)ccc2)=N\C2(CC(C3)C4)CC4CC3C2)N2CCSCC2)C1=S

InChI

InChI=1S/C27H34F3N3S2/c1-25(2)22(32-6-8-35-9-7-32)23(31-26-14-17-10-18(15-26)12-19(11-17)16-26)33(24(25)34)21-5-3-4-20(13-21)27(28,29)30/h3-5,13,17-19,22H,6-12,14-16H2,1-2H3/t17?,18?,19?,22-,26?/m0/s1

InChI Key

ZXKSKPYXOAIOSL-OMQIJLIKSA-N

MDL Number (MFCD)

MFCD14944760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.71

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.005

Distribution Coefficient, logD

7.005

Water Solubility, LogSw

-6.08

Polar Surface Area

13.154

Acid Dissociation Constant (pKa)

20.01

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.40

References: we are preparing a list of scientific research reports with F208-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F208-0399?
Check Price and Availability of F208-0399, 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 F208-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F208-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F208-0399
  • 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 F208-0399 available by request