8008-3061 Screening compound: 1-[(E)-[(2-{[1,1'-biphenyl]-2-yloxy}-5-(trifluoromethyl)phenyl)imino]methyl]naphthalen-2-ol

8008-3061 Screening compound: 1-[(E)-[(2-{[1,1'-biphenyl]-2-yloxy}-5-(trifluoromethyl)phenyl)imino]methyl]naphthalen-2-ol
8008-3061 Screening compound: 1-[(E)-[(2-{[1,1'-biphenyl]-2-yloxy}-5-(trifluoromethyl)phenyl)imino]methyl]naphthalen-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3061
1-[(E)-[(2-{[1,1'-biphenyl]-2-yloxy}-5-(trifluoromethyl)phenyl)imino]methyl]naphthalen-2-ol

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

8008-3061

Molecular Formula

C30H20F3NO2 (C30 H20 F3 NO2)

Compound Name

1-[(E)-[(2-{[1,1'-biphenyl]-2-yloxy}-5-(trifluoromethyl)phenyl)imino]methyl]naphthalen-2-ol

IUPAC name

1-[(E)-[(2-{[11'-biphenyl]-2-yloxy}-5-(trifluoromethyl)phenyl)imino]methyl]naphthalen-2-ol

SMILES

Oc1c(/C=N/c(cc(C(F)(F)F)cc2)c2Oc(cccc2)c2-c2ccccc2)c2ccccc2cc1

InChI

InChI=1S/C30H20F3NO2/c31-30(32,33)22-15-17-29(36-28-13-7-6-12-24(28)20-8-2-1-3-9-20)26(18-22)34-19-25-23-11-5-4-10-21(23)14-16-27(25)35/h1-19,35H

InChI Key

UIUWTRXXCNBYSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01117591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.49

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

8.001

Distribution Coefficient, logD

7.956

Water Solubility, LogSw

-6.97

Polar Surface Area

30.594

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.30

8008-3061 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8008-3061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3061?
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What is the minimum amount of 8008-3061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3061
  • 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 8008-3061 available by request