F208-0404 Screening compound: 4-[(5E)-5-(cyclohexylimino)-3,3-dimethyl-2-sulfanylidene-4-(thiomorpholin-4-yl)pyrrolidin-1-yl]benzonitrile

F208-0404 Screening compound: 4-[(5E)-5-(cyclohexylimino)-3,3-dimethyl-2-sulfanylidene-4-(thiomorpholin-4-yl)pyrrolidin-1-yl]benzonitrile
F208-0404 Screening compound: 4-[(5E)-5-(cyclohexylimino)-3,3-dimethyl-2-sulfanylidene-4-(thiomorpholin-4-yl)pyrrolidin-1-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound F208-0404
4-[(5E)-5-(cyclohexylimino)-3,3-dimethyl-2-sulfanylidene-4-(thiomorpholin-4-yl)pyrrolidin-1-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

F208-0404

Molecular Formula

C23H30N4S2 (C23 H30 N4 S2)

Compound Name

4-[(5E)-5-(cyclohexylimino)-3,3-dimethyl-2-sulfanylidene-4-(thiomorpholin-4-yl)pyrrolidin-1-yl]benzonitrile

IUPAC name

4-[(5E)-5-(cyclohexylimino)-33-dimethyl-2-sulfanylidene-4-(thiomorpholin-4-yl)pyrrolidin-1-yl]benzonitrile

SMILES

CC(C)(C(/C(/N1c(cc2)ccc2C#N)=N\C2CCCCC2)N2CCSCC2)C1=S

InChI

InChI=1S/C23H30N4S2/c1-23(2)20(26-12-14-29-15-13-26)21(25-18-6-4-3-5-7-18)27(22(23)28)19-10-8-17(16-24)9-11-19/h8-11,18,20H,3-7,12-15H2,1-2H3/t20-/m0/s1

InChI Key

FLAGTMGGFZGMQU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14944763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.070

Distribution Coefficient, logD

5.068

Water Solubility, LogSw

-4.51

Polar Surface Area

30.240

Acid Dissociation Constant (pKa)

19.43

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.90

References: we are preparing a list of scientific research reports with F208-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F208-0404?
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What is the minimum amount of F208-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F208-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F208-0404
  • 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 F208-0404 available by request