4397-3137 Screening compound: (2E)-2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-(4-nitrophenyl)prop-2-enamide

4397-3137 Screening compound: (2E)-2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-(4-nitrophenyl)prop-2-enamide
4397-3137 Screening compound: (2E)-2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-(4-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4397-3137
(2E)-2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-(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

4397-3137

Molecular Formula

C24H27N3O4 (C24 H27 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c1cc(/C=C(/C(Nc(cc2)ccc2[N+]([O-])=O)=O)\C#N)cc(C(C)(C)C)c1O

InChI

InChI=1S/C24H27N3O4/c1-23(2,3)19-12-15(13-20(21(19)28)24(4,5)6)11-16(14-25)22(29)26-17-7-9-18(10-8-17)27(30)31/h7-13,28H,1-6H3,(H,26,29)

InChI Key

LQHXHERVWBJXDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02731737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.038

Distribution Coefficient, logD

5.496

Water Solubility, LogSw

-5.35

Polar Surface Area

89.247

Acid Dissociation Constant (pKa)

7.01

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4397-3137 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiparasite Library (23996 compounds)

KRAS-Targeted Library (16000 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
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Kinases
  • Phosphatases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4397-3137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4397-3137?
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What is the minimum amount of 4397-3137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4397-3137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4397-3137
  • 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 4397-3137 available by request