8005-5468 Screening compound: N-[(1Z)-1-{N'-[(1Z)-1-(3,4-dichlorophenyl)ethylidene]hydrazinecarbonyl}-2-(4-propoxyphenyl)eth-1-en-1-yl]benzamide

8005-5468 Screening compound: N-[(1Z)-1-{N'-[(1Z)-1-(3,4-dichlorophenyl)ethylidene]hydrazinecarbonyl}-2-(4-propoxyphenyl)eth-1-en-1-yl]benzamide
8005-5468 Screening compound: N-[(1Z)-1-{N'-[(1Z)-1-(3,4-dichlorophenyl)ethylidene]hydrazinecarbonyl}-2-(4-propoxyphenyl)eth-1-en-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5468
N-[(1Z)-1-{N'-[(1Z)-1-(3,4-dichlorophenyl)ethylidene]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

8005-5468

Molecular Formula

C27H25Cl2N3O3 (C27 H25 Cl2 N3 O3)

Compound Name

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

IUPAC name

N-[(1Z)-1-{N'-[(1Z)-1-(34-dichlorophenyl)ethylidene]hydrazinecarbonyl}-2-(4-propoxyphenyl)eth-1-en-1-yl]benzamide

SMILES

CCCOc1ccc(/C=C(/C(N/N=C(/C)\c(cc2)cc(Cl)c2Cl)=O)\NC(c2ccccc2)=O)cc1

InChI

InChI=1S/C27H25Cl2N3O3/c1-3-15-35-22-12-9-19(10-13-22)16-25(30-26(33)20-7-5-4-6-8-20)27(34)32-31-18(2)21-11-14-23(28)24(29)17-21/h4-14,16-17H,3,15H2,1-2H3,(H,30,33)(H,32,34)

InChI Key

UQEVPOJYJRHECN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00820454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.610

Distribution Coefficient, logD

5.432

Water Solubility, LogSw

-6.23

Polar Surface Area

64.184

Acid Dissociation Constant (pKa)

6.25

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

8005-5468 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 8005-5468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5468?
Check Price and Availability of 8005-5468, 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 8005-5468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5468
  • 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 8005-5468 available by request