8010-4175 Screening compound: 2-({1-[3-(3-{[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl}-2,5-dioxo-1-pyrrolidinyl)phenyl]-2,5-dioxotetrahydro-1H-pyrrol-3-yl}sulfanyl)-6-(2-thienyl)-4-(trifluoromethyl)-3-pyridyl cyanide

8010-4175 Screening compound: 2-({1-[3-(3-{[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl}-2,5-dioxo-1-pyrrolidinyl)phenyl]-2,5-dioxotetrahydro-1H-pyrrol-3-yl}sulfanyl)-6-(2-thienyl)-4-(trifluoromethyl)-3-pyridyl cyanide
8010-4175 Screening compound: 2-({1-[3-(3-{[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl}-2,5-dioxo-1-pyrrolidinyl)phenyl]-2,5-dioxotetrahydro-1H-pyrrol-3-yl}sulfanyl)-6-(2-thienyl)-4-(trifluoromethyl)-3-pyridyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4175
2-({1-[3-(3-{[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl}-2,5-dioxo-1-pyrrolidinyl)phenyl]-2,5-dioxotetrahydro-1H-pyrrol-3-yl}sulfanyl)-6-(2-thienyl)-4-(trifluoromethyl)-3-pyridyl cyanide

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

8010-4175

Molecular Formula

C36H18F6N6O4S4 (C36 H18 F6 N6 O4 S4)

Compound Name

2-({1-[3-(3-{[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl}-2,5-dioxo-1-pyrrolidinyl)phenyl]-2,5-dioxotetrahydro-1H-pyrrol-3-yl}sulfanyl)-6-(2-thienyl)-4-(trifluoromethyl)-3-pyridyl cyanide

IUPAC name

2-({1-[3-(3-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-25-dioxopyrrolidin-1-yl)phenyl]-25-dioxopyrrolidin-3-yl}sulfanyl)-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

SMILES

N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SC(CC(N1c2cccc(N(C(CC3Sc(nc(cc4C(F)(F)F)-c5cccs5)c4C#N)=O)C3=O)c2)=O)C1=O

InChI

InChI=1S/C36H18F6N6O4S4/c37-35(38,39)21-11-23(25-6-2-8-53-25)45-31(19(21)15-43)55-27-13-29(49)47(33(27)51)17-4-1-5-18(10-17)48-30(50)14-28(34(48)52)56-32-20(16-44)22(36(40,41)42)12-24(46-32)26-7-3-9-54-26/h1-12,27-28H,13-14H2

InChI Key

OTUJGBMKONUWEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

840.83

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

7.157

Distribution Coefficient, logD

7.157

Water Solubility, LogSw

-6.14

Polar Surface Area

111.177

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with 8010-4175 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4175
  • 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 8010-4175 available by request