8010-4093 Screening compound: 3-{[[(3,5-dichlorophenyl)imino](phenethylamino)methyl]sulfanyl}-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidine

8010-4093 Screening compound: 3-{[[(3,5-dichlorophenyl)imino](phenethylamino)methyl]sulfanyl}-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidine
8010-4093 Screening compound: 3-{[[(3,5-dichlorophenyl)imino](phenethylamino)methyl]sulfanyl}-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4093
3-{[[(3,5-dichlorophenyl)imino](phenethylamino)methyl]sulfanyl}-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidine

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

8010-4093

Molecular Formula

C26H20Cl2F3N3O3S (C26 H20 Cl2 F3 N3 O3 S)

Compound Name

3-{[[(3,5-dichlorophenyl)imino](phenethylamino)methyl]sulfanyl}-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidine

IUPAC name

(E)-N'-(35-dichlorophenyl)-1-({25-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl}sulfanyl)-N-(2-phenylethyl)methanimidamide

SMILES

O=C(CC(C1=O)S/C(/NCCc2ccccc2)=N/c2cc(Cl)cc(Cl)c2)N1c(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C26H20Cl2F3N3O3S/c27-17-12-18(28)14-19(13-17)33-25(32-11-10-16-4-2-1-3-5-16)38-22-15-23(35)34(24(22)36)20-6-8-21(9-7-20)37-26(29,30)31/h1-9,12-14,22H,10-11,15H2,(H,32,33)/t22-/m0/s1

InChI Key

PYQVPCOTFKVVQM-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01872331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

582.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.295

Distribution Coefficient, logD

6.295

Water Solubility, LogSw

-6.35

Polar Surface Area

53.546

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.23

References: we are preparing a list of scientific research reports with 8010-4093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4093?
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What is the minimum amount of 8010-4093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4093
  • 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 8010-4093 available by request