4543-8753 Screening compound: (E)-1-(3,4-dimethoxyphenyl)-N-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]methanimine

4543-8753 Screening compound: (E)-1-(3,4-dimethoxyphenyl)-N-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]methanimine
4543-8753 Screening compound: (E)-1-(3,4-dimethoxyphenyl)-N-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4543-8753
(E)-1-(3,4-dimethoxyphenyl)-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

4543-8753

Molecular Formula

C25H23N3O2 (C25 H23 N3 O2)

Compound Name

(E)-1-(3,4-dimethoxyphenyl)-N-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]methanimine

IUPAC name

(E)-1-(34-dimethoxyphenyl)-N-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]methanimine

SMILES

Cc(cc1)ccc1-c(cc1/N=C/c(cc2)cc(OC)c2OC)nn1-c1ccccc1

InChI

InChI=1S/C25H23N3O2/c1-18-9-12-20(13-10-18)22-16-25(28(27-22)21-7-5-4-6-8-21)26-17-19-11-14-23(29-2)24(15-19)30-3/h4-17H,1-3H3

InChI Key

DQOVBQOBCQJLCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.692

Distribution Coefficient, logD

5.687

Water Solubility, LogSw

-5.73

Polar Surface Area

37.790

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

4543-8753 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 4543-8753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4543-8753?
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What is the minimum amount of 4543-8753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4543-8753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4543-8753
  • 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 4543-8753 available by request