1313-0786 Screening compound: (4E)-4-{2-[4-(difluoromethoxy)phenyl]hydrazin-1-ylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

1313-0786 Screening compound: (4E)-4-{2-[4-(difluoromethoxy)phenyl]hydrazin-1-ylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
1313-0786 Screening compound: (4E)-4-{2-[4-(difluoromethoxy)phenyl]hydrazin-1-ylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1313-0786
(4E)-4-{2-[4-(difluoromethoxy)phenyl]hydrazin-1-ylidene}-3-methyl-1-phenyl-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

1313-0786

Molecular Formula

C17H14F2N4O2 (C17 H14 F2 N4 O2)

Compound Name

(4E)-4-{2-[4-(difluoromethoxy)phenyl]hydrazin-1-ylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4E)-4-{2-[4-(difluoromethoxy)phenyl]hydrazin-1-ylidene}-3-methyl-1-phenyl-45-dihydro-1H-pyrazol-5-one

SMILES

CC(/C(/C1=O)=N\Nc(cc2)ccc2OC(F)F)=NN1c1ccccc1

InChI

InChI=1S/C17H14F2N4O2/c1-11-15(16(24)23(22-11)13-5-3-2-4-6-13)21-20-12-7-9-14(10-8-12)25-17(18)19/h2-10,17,20H,1H3

InChI Key

OSFRPHDOZVWFRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00705056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.454

Distribution Coefficient, logD

3.453

Water Solubility, LogSw

-3.59

Polar Surface Area

52.167

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 1313-0786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1313-0786?
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What is the minimum amount of 1313-0786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1313-0786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1313-0786
  • 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 1313-0786 available by request