8017-2709 Screening compound: 2-{[4-cyano-3-({2-oxo-2-[4-(trifluoromethyl)anilino]ethyl}sulfanyl)-5-isothiazolyl]sulfanyl}-N~1~-[4-(trifluoromethyl)phenyl]acetamide

8017-2709 Screening compound: 2-{[4-cyano-3-({2-oxo-2-[4-(trifluoromethyl)anilino]ethyl}sulfanyl)-5-isothiazolyl]sulfanyl}-N~1~-[4-(trifluoromethyl)phenyl]acetamide
8017-2709 Screening compound: 2-{[4-cyano-3-({2-oxo-2-[4-(trifluoromethyl)anilino]ethyl}sulfanyl)-5-isothiazolyl]sulfanyl}-N~1~-[4-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2709
2-{[4-cyano-3-({2-oxo-2-[4-(trifluoromethyl)anilino]ethyl}sulfanyl)-5-isothiazolyl]sulfanyl}-N~1~-[4-(trifluoromethyl)phenyl]acetamide

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

8017-2709

Molecular Formula

C22H14F6N4O2S3 (C22 H14 F6 N4 O2 S3)

Compound Name

2-{[4-cyano-3-({2-oxo-2-[4-(trifluoromethyl)anilino]ethyl}sulfanyl)-5-isothiazolyl]sulfanyl}-N~1~-[4-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-({4-cyano-5-[({[4-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-12-thiazol-3-yl}sulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide

SMILES

N#Cc1c(SCC(Nc2ccc(C(F)(F)F)cc2)=O)snc1SCC(Nc1ccc(C(F)(F)F)cc1)=O

InChI

InChI=1S/C22H14F6N4O2S3/c23-21(24,25)12-1-5-14(6-2-12)30-17(33)10-35-19-16(9-29)20(37-32-19)36-11-18(34)31-15-7-3-13(4-8-15)22(26,27)28/h1-8H,10-11H2,(H,30,33)(H,31,34)

InChI Key

UFDLVZPYQIUFNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.127

Distribution Coefficient, logD

6.127

Water Solubility, LogSw

-6.06

Polar Surface Area

73.673

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

8017-2709 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8017-2709 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8017-2709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2709
  • 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 8017-2709 available by request