K072-0014 Screening compound: 3-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazin-1-yl]benzoic acid

K072-0014 Screening compound: 3-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazin-1-yl]benzoic acid
K072-0014 Screening compound: 3-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazin-1-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K072-0014
3-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazin-1-yl]benzoic acid

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

K072-0014

Molecular Formula

C18H20N2O2 (C18 H20 N2 O2)

Compound Name

3-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazin-1-yl]benzoic acid

IUPAC name

3-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazin-1-yl]benzoic acid

SMILES

CC(C)(C)c1ccc(/C=N/Nc2cccc(C(O)=O)c2)cc1

InChI

InChI=1S/C18H20N2O2/c1-18(2,3)15-9-7-13(8-10-15)12-19-20-16-6-4-5-14(11-16)17(21)22/h4-12,20H,1-3H3,(H,21,22)

InChI Key

LMOJKIYTTKVIHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.544

Distribution Coefficient, logD

2.462

Water Solubility, LogSw

-5.38

Polar Surface Area

49.784

Acid Dissociation Constant (pKa)

4.01

Base Dissociation Constant (pKb)

3.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K072-0014 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K072-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K072-0014?
Check Price and Availability of K072-0014, 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 K072-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K072-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K072-0014
  • 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 K072-0014 available by request