8004-8401 Screening compound: N-[(1Z)-1-{N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]hydrazinecarbonyl}-2-(4-propoxyphenyl)eth-1-en-1-yl]benzamide

8004-8401 Screening compound: N-[(1Z)-1-{N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]hydrazinecarbonyl}-2-(4-propoxyphenyl)eth-1-en-1-yl]benzamide
8004-8401 Screening compound: N-[(1Z)-1-{N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]hydrazinecarbonyl}-2-(4-propoxyphenyl)eth-1-en-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-8401
N-[(1Z)-1-{N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]hydrazinecarbonyl}-2-(4-propoxyphenyl)eth-1-en-1-yl]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

8004-8401

Molecular Formula

C28H27N3O3 (C28 H27 N3 O3)

Compound Name

N-[(1Z)-1-{N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]hydrazinecarbonyl}-2-(4-propoxyphenyl)eth-1-en-1-yl]benzamide

IUPAC name

N-[(1Z)-1-{N'-[(1E2E)-3-phenylprop-2-en-1-ylidene]hydrazinecarbonyl}-2-(4-propoxyphenyl)eth-1-en-1-yl]benzamide

SMILES

CCCOc1ccc(/C=C(/C(N/N=C/C=C/c2ccccc2)=O)\NC(c2ccccc2)=O)cc1

InChI

InChI=1S/C28H27N3O3/c1-2-20-34-25-17-15-23(16-18-25)21-26(30-27(32)24-13-7-4-8-14-24)28(33)31-29-19-9-12-22-10-5-3-6-11-22/h3-19,21H,2,20H2,1H3,(H,30,32)(H,31,33)

InChI Key

XSVRLDAFKQIWSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00740440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.416

Distribution Coefficient, logD

3.330

Water Solubility, LogSw

-5.48

Polar Surface Area

65.528

Acid Dissociation Constant (pKa)

5.32

Base Dissociation Constant (pKb)

3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

8004-8401 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8004-8401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-8401?
Check Price and Availability of 8004-8401, 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 8004-8401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-8401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-8401
  • 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 8004-8401 available by request