8004-5701 Screening compound: N-[(1Z)-1-{N'-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)eth-1-en-1-yl]benzamide

8004-5701 Screening compound: N-[(1Z)-1-{N'-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)eth-1-en-1-yl]benzamide
8004-5701 Screening compound: N-[(1Z)-1-{N'-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)eth-1-en-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-5701
N-[(1Z)-1-{N'-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)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

8004-5701

Molecular Formula

C23H20ClN3O4S (C23 H20 ClN3 O4 S)

Compound Name

N-[(1Z)-1-{N'-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)eth-1-en-1-yl]benzamide

IUPAC name

N-[(1Z)-1-{N'-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]hydrazinecarbonyl}-2-(thiophen-2-yl)eth-1-en-1-yl]benzamide

SMILES

CCOc1cc(/C=N/NC(/C(/NC(c2ccccc2)=O)=C/c2cccs2)=O)cc(Cl)c1O

InChI

InChI=1S/C23H20ClN3O4S/c1-2-31-20-12-15(11-18(24)21(20)28)14-25-27-23(30)19(13-17-9-6-10-32-17)26-22(29)16-7-4-3-5-8-16/h3-14,28H,2H2,1H3,(H,26,29)(H,27,30)

InChI Key

PQZFGCNDDNCCHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.896

Distribution Coefficient, logD

4.045

Water Solubility, LogSw

-4.70

Polar Surface Area

81.187

Acid Dissociation Constant (pKa)

6.62

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

8004-5701 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8004-5701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-5701?
Check Price and Availability of 8004-5701, 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 8004-5701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-5701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-5701
  • 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 8004-5701 available by request