8007-3964 Screening compound: 2-chloro-6-[(E)-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]imino}methyl]phenol

8007-3964 Screening compound: 2-chloro-6-[(E)-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]imino}methyl]phenol
8007-3964 Screening compound: 2-chloro-6-[(E)-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]imino}methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-3964
2-chloro-6-[(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

8007-3964

Molecular Formula

C18H16ClF3N2O (C18 H16 ClF3 N2 O)

Compound Name

2-chloro-6-[(E)-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]imino}methyl]phenol

IUPAC name

2-chloro-6-[(E)-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]imino}methyl]phenol

SMILES

Oc(c(/C=N/c(cc(C(F)(F)F)cc1)c1N1CCCC1)ccc1)c1Cl

InChI

InChI=1S/C18H16ClF3N2O/c19-14-5-3-4-12(17(14)25)11-23-15-10-13(18(20,21)22)6-7-16(15)24-8-1-2-9-24/h3-7,10-11,25H,1-2,8-9H2

InChI Key

VTMMMXJPBSEINH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01239602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.79

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

5.337

Distribution Coefficient, logD

4.983

Water Solubility, LogSw

-5.63

Polar Surface Area

26.665

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

8007-3964 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8007-3964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-3964?
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What is the minimum amount of 8007-3964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-3964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-3964
  • 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 8007-3964 available by request