4251-0442 Screening compound: (E)-N-[(3Z)-4-(4-ethoxyphenyl)but-3-en-2-ylidene]hydroxylamine

4251-0442 Screening compound: (E)-N-[(3Z)-4-(4-ethoxyphenyl)but-3-en-2-ylidene]hydroxylamine
4251-0442 Screening compound: (E)-N-[(3Z)-4-(4-ethoxyphenyl)but-3-en-2-ylidene]hydroxylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4251-0442
(E)-N-[(3Z)-4-(4-ethoxyphenyl)but-3-en-2-ylidene]hydroxylamine

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

4251-0442

Molecular Formula

C12H15NO2 (C12 H15 NO2)

Compound Name

(E)-N-[(3Z)-4-(4-ethoxyphenyl)but-3-en-2-ylidene]hydroxylamine

IUPAC name

(E)-N-[(3Z)-4-(4-ethoxyphenyl)but-3-en-2-ylidene]hydroxylamine

SMILES

CCOc1ccc(/C=C\C(\C)=N\O)cc1

InChI

InChI=1S/C12H15NO2/c1-3-15-12-8-6-11(7-9-12)5-4-10(2)13-14/h4-9,14H,3H2,1-2H3

InChI Key

PQHBUKNDCJQQME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01654077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

205.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.699

Distribution Coefficient, logD

2.692

Water Solubility, LogSw

-2.57

Polar Surface Area

36.636

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4251-0442 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4251-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4251-0442?
Check Price and Availability of 4251-0442, 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 4251-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4251-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4251-0442
  • 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 4251-0442 available by request