1548-0683 Screening compound: N-({N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbonyl}methyl)-2-methoxybenzamide

1548-0683 Screening compound: N-({N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbonyl}methyl)-2-methoxybenzamide
1548-0683 Screening compound: N-({N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbonyl}methyl)-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1548-0683
N-({N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbonyl}methyl)-2-methoxybenzamide

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

1548-0683

Molecular Formula

C21H20ClN5O3 (C21 H20 ClN5 O3)

Compound Name

N-({N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbonyl}methyl)-2-methoxybenzamide

IUPAC name

N-({N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbonyl}methyl)-2-methoxybenzamide

SMILES

Cc(c(/C=N/NC(CNC(c(cccc1)c1OC)=O)=O)c1Cl)nn1-c1ccccc1

InChI

InChI=1S/C21H20ClN5O3/c1-14-17(20(22)27(26-14)15-8-4-3-5-9-15)12-24-25-19(28)13-23-21(29)16-10-6-7-11-18(16)30-2/h3-12H,13H2,1-2H3,(H,23,29)(H,25,28)

InChI Key

BSBDHOATOGQHKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00287853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.356

Distribution Coefficient, logD

3.350

Water Solubility, LogSw

-3.81

Polar Surface Area

82.456

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

1548-0683 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 1548-0683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1548-0683?
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What is the minimum amount of 1548-0683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1548-0683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1548-0683
  • 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 1548-0683 available by request