8005-5554 Screening compound: 2,4-dichloro-6-[(E)-{[2-(2,2,3,3-tetrafluoropropoxy)phenyl]imino}methyl]phenol

8005-5554 Screening compound: 2,4-dichloro-6-[(E)-{[2-(2,2,3,3-tetrafluoropropoxy)phenyl]imino}methyl]phenol
8005-5554 Screening compound: 2,4-dichloro-6-[(E)-{[2-(2,2,3,3-tetrafluoropropoxy)phenyl]imino}methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5554
2,4-dichloro-6-[(E)-{[2-(2,2,3,3-tetrafluoropropoxy)phenyl]imino}methyl]phenol

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

8005-5554

Molecular Formula

C16H11Cl2F4NO2 (C16 H11 Cl2 F4 NO2)

Compound Name

2,4-dichloro-6-[(E)-{[2-(2,2,3,3-tetrafluoropropoxy)phenyl]imino}methyl]phenol

IUPAC name

24-dichloro-6-[(E)-{[2-(2233-tetrafluoropropoxy)phenyl]imino}methyl]phenol

SMILES

Oc(c(/C=N/c(cccc1)c1OCC(C(F)F)(F)F)cc(Cl)c1)c1Cl

InChI

InChI=1S/C16H11Cl2F4NO2/c17-10-5-9(14(24)11(18)6-10)7-23-12-3-1-2-4-13(12)25-8-16(21,22)15(19)20/h1-7,15,24H,8H2

InChI Key

PVKKSYQSZFWESR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00372950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.17

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.305

Distribution Coefficient, logD

4.725

Water Solubility, LogSw

-5.48

Polar Surface Area

30.733

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8005-5554 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8005-5554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5554?
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What is the minimum amount of 8005-5554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5554
  • 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 8005-5554 available by request