4533-0101 Screening compound: N'-[(5Z)-6,6-dimethyl-4-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-5-ylidene]pyridine-4-carbohydrazide

4533-0101 Screening compound: N'-[(5Z)-6,6-dimethyl-4-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-5-ylidene]pyridine-4-carbohydrazide
4533-0101 Screening compound: N'-[(5Z)-6,6-dimethyl-4-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-5-ylidene]pyridine-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4533-0101
N'-[(5Z)-6,6-dimethyl-4-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-5-ylidene]pyridine-4-carbohydrazide

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

4533-0101

Molecular Formula

C21H19N5O2 (C21 H19 N5 O2)

Compound Name

N'-[(5Z)-6,6-dimethyl-4-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-5-ylidene]pyridine-4-carbohydrazide

IUPAC name

N'-[(5Z)-66-dimethyl-4-oxo-1-phenyl-4567-tetrahydro-1H-indazol-5-ylidene]pyridine-4-carbohydrazide

SMILES

CC(C)(Cc(n(-c1ccccc1)nc1)c1C1=O)/C1=N/NC(c1ccncc1)=O

InChI

InChI=1S/C21H19N5O2/c1-21(2)12-17-16(13-23-26(17)15-6-4-3-5-7-15)18(27)19(21)24-25-20(28)14-8-10-22-11-9-14/h3-11,13H,12H2,1-2H3,(H,25,28)

InChI Key

KBKTZYFCQBKBSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00520842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.170

Distribution Coefficient, logD

3.103

Water Solubility, LogSw

-3.26

Polar Surface Area

70.666

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 4533-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4533-0101?
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What is the minimum amount of 4533-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4533-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4533-0101
  • 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 4533-0101 available by request