8012-4251 Screening compound: (4Z)-1-(4-fluorophenyl)-4-{[(naphthalen-1-yl)amino]methylidene}-3-propyl-4,5-dihydro-1H-pyrazol-5-one

8012-4251 Screening compound: (4Z)-1-(4-fluorophenyl)-4-{[(naphthalen-1-yl)amino]methylidene}-3-propyl-4,5-dihydro-1H-pyrazol-5-one
8012-4251 Screening compound: (4Z)-1-(4-fluorophenyl)-4-{[(naphthalen-1-yl)amino]methylidene}-3-propyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4251
(4Z)-1-(4-fluorophenyl)-4-{[(naphthalen-1-yl)amino]methylidene}-3-propyl-4,5-dihydro-1H-pyrazol-5-one

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

8012-4251

Molecular Formula

C23H20FN3O (C23 H20 FN3 O)

Compound Name

(4Z)-1-(4-fluorophenyl)-4-{[(naphthalen-1-yl)amino]methylidene}-3-propyl-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4Z)-1-(4-fluorophenyl)-4-{[(naphthalen-1-yl)amino]methylidene}-3-propyl-45-dihydro-1H-pyrazol-5-one

SMILES

CCCC(/C(/C1=O)=C/Nc2cccc3ccccc23)=NN1c(cc1)ccc1F

InChI

InChI=1S/C23H20FN3O/c1-2-6-22-20(23(28)27(26-22)18-13-11-17(24)12-14-18)15-25-21-10-5-8-16-7-3-4-9-19(16)21/h3-5,7-15,25H,2,6H2,1H3

InChI Key

WBAOOSBAWDNAGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03035997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.122

Distribution Coefficient, logD

5.121

Water Solubility, LogSw

-5.81

Polar Surface Area

36.949

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with 8012-4251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4251?
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What is the minimum amount of 8012-4251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4251
  • 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 8012-4251 available by request