4397-3485 Screening compound: (2E)-2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-(2-hydroxy-4-nitrophenyl)prop-2-enamide

4397-3485 Screening compound: (2E)-2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-(2-hydroxy-4-nitrophenyl)prop-2-enamide
4397-3485 Screening compound: (2E)-2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-(2-hydroxy-4-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4397-3485
(2E)-2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-(2-hydroxy-4-nitrophenyl)prop-2-enamide

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

4397-3485

Molecular Formula

C24H27N3O5 (C24 H27 N3 O5)

Compound Name

(2E)-2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-(2-hydroxy-4-nitrophenyl)prop-2-enamide

IUPAC name

(2E)-2-cyano-3-(35-di-tert-butyl-4-hydroxyphenyl)-N-(2-hydroxy-4-nitrophenyl)prop-2-enamide

SMILES

CC(C)(C)c1cc(/C=C(/C(Nc(ccc([N+]([O-])=O)c2)c2O)=O)\C#N)cc(C(C)(C)C)c1O

InChI

InChI=1S/C24H27N3O5/c1-23(2,3)17-10-14(11-18(21(17)29)24(4,5)6)9-15(13-25)22(30)26-19-8-7-16(27(31)32)12-20(19)28/h7-12,28-29H,1-6H3,(H,26,30)

InChI Key

PVGXOMGEFKGLIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.756

Distribution Coefficient, logD

4.433

Water Solubility, LogSw

-5.29

Polar Surface Area

105.097

Acid Dissociation Constant (pKa)

6.10

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4397-3485 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiparasite Library (23996 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4397-3485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4397-3485?
Check Price and Availability of 4397-3485, 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 4397-3485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4397-3485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4397-3485
  • 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 4397-3485 available by request