0992-0050 Screening compound: N-({N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)benzamide

0992-0050 Screening compound: N-({N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)benzamide
0992-0050 Screening compound: N-({N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0992-0050
N-({N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)benzamide

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

0992-0050

Molecular Formula

C17H17N3O4 (C17 H17 N3 O4)

Compound Name

N-({N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)benzamide

IUPAC name

N-({N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)benzamide

SMILES

COc(cc(/C=N/NC(CNC(c1ccccc1)=O)=O)cc1)c1O

InChI

InChI=1S/C17H17N3O4/c1-24-15-9-12(7-8-14(15)21)10-19-20-16(22)11-18-17(23)13-5-3-2-4-6-13/h2-10,21H,11H2,1H3,(H,18,23)(H,20,22)

InChI Key

JGXJXTXKNQSLQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00096007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.668

Distribution Coefficient, logD

1.665

Water Solubility, LogSw

-2.23

Polar Surface Area

84.204

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

0992-0050 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Glucocorticoid receptors Library (4806 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0992-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0992-0050?
Check Price and Availability of 0992-0050, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0992-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0992-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0992-0050
  • 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 0992-0050 available by request