2410-0180 Screening compound: N-[(1E)-2-(4-methoxyphenyl)-1-{N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide

2410-0180 Screening compound: N-[(1E)-2-(4-methoxyphenyl)-1-{N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide
2410-0180 Screening compound: N-[(1E)-2-(4-methoxyphenyl)-1-{N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2410-0180
N-[(1E)-2-(4-methoxyphenyl)-1-{N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]hydrazinecarbonyl}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

2410-0180

Molecular Formula

C22H18N4O5S (C22 H18 N4 O5 S)

Compound Name

N-[(1E)-2-(4-methoxyphenyl)-1-{N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide

IUPAC name

N-[(1E)-2-(4-methoxyphenyl)-1-{N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]hydrazinecarbonyl}eth-1-en-1-yl]benzamide

SMILES

COc1ccc(/C=C(\C(N/N=C\c2ccc([N+]([O-])=O)s2)=O)/NC(c2ccccc2)=O)cc1

InChI

InChI=1S/C22H18N4O5S/c1-31-17-9-7-15(8-10-17)13-19(24-21(27)16-5-3-2-4-6-16)22(28)25-23-14-18-11-12-20(32-18)26(29)30/h2-14H,1H3,(H,24,27)(H,25,28)

InChI Key

PCTVIOXZQFIHOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01841953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.280

Distribution Coefficient, logD

2.406

Water Solubility, LogSw

-4.37

Polar Surface Area

99.774

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

2410-0180 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 2410-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2410-0180?
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What is the minimum amount of 2410-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2410-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2410-0180
  • 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 2410-0180 available by request