8010-4194 Screening compound: 3-[(2-aminoethyl)sulfanyl]-1-[4-(trifluoromethoxy)phenyl]dihydro-1H-pyrrole-2,5-dione

8010-4194 Screening compound: 3-[(2-aminoethyl)sulfanyl]-1-[4-(trifluoromethoxy)phenyl]dihydro-1H-pyrrole-2,5-dione
8010-4194 Screening compound: 3-[(2-aminoethyl)sulfanyl]-1-[4-(trifluoromethoxy)phenyl]dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4194
3-[(2-aminoethyl)sulfanyl]-1-[4-(trifluoromethoxy)phenyl]dihydro-1H-pyrrole-2,5-dione

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

8010-4194

Molecular Formula

C13H13F3N2O3S (C13 H13 F3 N2 O3 S)

Compound Name

3-[(2-aminoethyl)sulfanyl]-1-[4-(trifluoromethoxy)phenyl]dihydro-1H-pyrrole-2,5-dione

IUPAC name

n/a

SMILES

NCCSC(CC(N1c(cc2)ccc2OC(F)(F)F)=O)C1=O

InChI

InChI=1S/C13H13F3N2O3S/c14-13(15,16)21-9-3-1-8(2-4-9)18-11(19)7-10(12(18)20)22-6-5-17/h1-4,10H,5-7,17H2/t10-/m0/s1

InChI Key

XVDXBDNYPDLGOZ-JTQLQIEISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

334.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.059

Distribution Coefficient, logD

-0.519

Water Solubility, LogSw

-2.12

Polar Surface Area

56.521

Acid Dissociation Constant (pKa)

16.92

Base Dissociation Constant (pKb)

8.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

8010-4194 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-4194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4194?
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What is the minimum amount of 8010-4194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4194
  • 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 8010-4194 available by request