8008-1247 Screening compound: (E)-1-{2-[(2-chlorophenyl)methoxy]phenyl}-N-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]methanimine

8008-1247 Screening compound: (E)-1-{2-[(2-chlorophenyl)methoxy]phenyl}-N-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]methanimine
8008-1247 Screening compound: (E)-1-{2-[(2-chlorophenyl)methoxy]phenyl}-N-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-1247
(E)-1-{2-[(2-chlorophenyl)methoxy]phenyl}-N-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]methanimine

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

8008-1247

Molecular Formula

C30H24ClN3O (C30 H24 ClN3 O)

Compound Name

(E)-1-{2-[(2-chlorophenyl)methoxy]phenyl}-N-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]methanimine

IUPAC name

(E)-1-{2-[(2-chlorophenyl)methoxy]phenyl}-N-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]methanimine

SMILES

Cc(cc1)ccc1-c(cc1/N=C/c(cccc2)c2OCc(cccc2)c2Cl)nn1-c1ccccc1

InChI

InChI=1S/C30H24ClN3O/c1-22-15-17-23(18-16-22)28-19-30(34(33-28)26-11-3-2-4-12-26)32-20-24-9-6-8-14-29(24)35-21-25-10-5-7-13-27(25)31/h2-20H,21H2,1H3

InChI Key

LZVNUYWQOKXCRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00493091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.99

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.379

Distribution Coefficient, logD

8.378

Water Solubility, LogSw

-6.57

Polar Surface Area

29.843

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8008-1247 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8008-1247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-1247?
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What is the minimum amount of 8008-1247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1247
  • 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 8008-1247 available by request