8007-4356 Screening compound: 2-[(E)-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]imino}methyl]phenol

8007-4356 Screening compound: 2-[(E)-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]imino}methyl]phenol
8007-4356 Screening compound: 2-[(E)-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]imino}methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4356
2-[(E)-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)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

8007-4356

Molecular Formula

C18H17F3N2O (C18 H17 F3 N2 O)

Compound Name

2-[(E)-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]imino}methyl]phenol

IUPAC name

2-[(E)-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]imino}methyl]phenol

SMILES

Oc1c(/C=N/c(cc(C(F)(F)F)cc2)c2N2CCCC2)cccc1

InChI

InChI=1S/C18H17F3N2O/c19-18(20,21)14-7-8-16(23-9-3-4-10-23)15(11-14)22-12-13-5-1-2-6-17(13)24/h1-2,5-8,11-12,24H,3-4,9-10H2

InChI Key

HECWVXVNBSXDQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01240410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.34

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.794

Distribution Coefficient, logD

4.762

Water Solubility, LogSw

-4.36

Polar Surface Area

27.734

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

8007-4356 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 8007-4356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-4356?
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What is the minimum amount of 8007-4356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-4356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4356
  • 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 8007-4356 available by request