8012-8414 Screening compound: 2,3,5-trichloro-4-[(1,1,2,2,2-pentafluoroethyl)sulfanyl]-6-[(2E)-2-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}hydrazin-1-yl]pyridine

8012-8414 Screening compound: 2,3,5-trichloro-4-[(1,1,2,2,2-pentafluoroethyl)sulfanyl]-6-[(2E)-2-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}hydrazin-1-yl]pyridine
8012-8414 Screening compound: 2,3,5-trichloro-4-[(1,1,2,2,2-pentafluoroethyl)sulfanyl]-6-[(2E)-2-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}hydrazin-1-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8414
2,3,5-trichloro-4-[(1,1,2,2,2-pentafluoroethyl)sulfanyl]-6-[(2E)-2-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}hydrazin-1-yl]pyridine

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

8012-8414

Molecular Formula

C17H11Cl3F5N3OS (C17 H11 Cl3 F5 N3 OS)

Compound Name

2,3,5-trichloro-4-[(1,1,2,2,2-pentafluoroethyl)sulfanyl]-6-[(2E)-2-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}hydrazin-1-yl]pyridine

IUPAC name

235-trichloro-4-[(11222-pentafluoroethyl)sulfanyl]-6-[(2E)-2-{[2-(prop-2-en-1-yloxy)phenyl]methylidene}hydrazin-1-yl]pyridine

SMILES

C=CCOc1c(/C=N/Nc(nc(c(Cl)c2SC(C(F)(F)F)(F)F)Cl)c2Cl)cccc1

InChI

InChI=1S/C17H11Cl3F5N3OS/c1-2-7-29-10-6-4-3-5-9(10)8-26-28-15-12(19)13(11(18)14(20)27-15)30-17(24,25)16(21,22)23/h2-6,8H,1,7H2,(H,27,28)

InChI Key

UABWGZNMDPWBDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03133879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.71

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.897

Distribution Coefficient, logD

7.892

Water Solubility, LogSw

-6.89

Polar Surface Area

38.773

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

8012-8414 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8012-8414 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 8012-8414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8414
  • 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 8012-8414 available by request