2410-0179 Screening compound: N-[(1E)-1-{N'-[(Z)-(4-bromothiophen-2-yl)methylidene]hydrazinecarbonyl}-2-(4-methoxyphenyl)eth-1-en-1-yl]benzamide

2410-0179 Screening compound: N-[(1E)-1-{N'-[(Z)-(4-bromothiophen-2-yl)methylidene]hydrazinecarbonyl}-2-(4-methoxyphenyl)eth-1-en-1-yl]benzamide
2410-0179 Screening compound: N-[(1E)-1-{N'-[(Z)-(4-bromothiophen-2-yl)methylidene]hydrazinecarbonyl}-2-(4-methoxyphenyl)eth-1-en-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2410-0179
N-[(1E)-1-{N'-[(Z)-(4-bromothiophen-2-yl)methylidene]hydrazinecarbonyl}-2-(4-methoxyphenyl)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

2410-0179

Molecular Formula

C22H18BrN3O3S (C22 H18 BrN3 O3 S)

Compound Name

N-[(1E)-1-{N'-[(Z)-(4-bromothiophen-2-yl)methylidene]hydrazinecarbonyl}-2-(4-methoxyphenyl)eth-1-en-1-yl]benzamide

IUPAC name

N-[(1E)-1-{N'-[(Z)-(4-bromothiophen-2-yl)methylidene]hydrazinecarbonyl}-2-(4-methoxyphenyl)eth-1-en-1-yl]benzamide

SMILES

COc1ccc(/C=C(\C(N/N=C\c2cc(Br)cs2)=O)/NC(c2ccccc2)=O)cc1

InChI

InChI=1S/C22H18BrN3O3S/c1-29-18-9-7-15(8-10-18)11-20(25-21(27)16-5-3-2-4-6-16)22(28)26-24-13-19-12-17(23)14-30-19/h2-14H,1H3,(H,25,27)(H,26,28)

InChI Key

QOQVDBFYVHVUCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01841952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.954

Distribution Coefficient, logD

3.080

Water Solubility, LogSw

-4.68

Polar Surface Area

66.041

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

2410-0179 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 2410-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2410-0179?
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What is the minimum amount of 2410-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2410-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2410-0179
  • 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 2410-0179 available by request