2130-0126 Screening compound: N-({N'-[(E)-[4-(METHYLSULFANYL)PHENYL]METHYLIDENE]HYDRAZINECARBONYL}(4-OXO-3,4-DIHYDROPHTHALAZIN-1-YL)METHYL)BENZAMIDE

2130-0126 Screening compound: N-({N'-[(E)-[4-(METHYLSULFANYL)PHENYL]METHYLIDENE]HYDRAZINECARBONYL}(4-OXO-3,4-DIHYDROPHTHALAZIN-1-YL)METHYL)BENZAMIDE
2130-0126 Screening compound: N-({N'-[(E)-[4-(METHYLSULFANYL)PHENYL]METHYLIDENE]HYDRAZINECARBONYL}(4-OXO-3,4-DIHYDROPHTHALAZIN-1-YL)METHYL)BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 2130-0126
N-({N'-[(E)-[4-(METHYLSULFANYL)PHENYL]METHYLIDENE]HYDRAZINECARBONYL}(4-OXO-3,4-DIHYDROPHTHALAZIN-1-YL)METHYL)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

2130-0126

Molecular Formula

C25H21N5O3S (C25 H21 N5 O3 S)

Compound Name

N-({N'-[(E)-[4-(METHYLSULFANYL)PHENYL]METHYLIDENE]HYDRAZINECARBONYL}(4-OXO-3,4-DIHYDROPHTHALAZIN-1-YL)METHYL)BENZAMIDE

IUPAC name

n/a

SMILES

CSc1ccc(/C=N/NC(C(C(c2c3cccc2)=NNC3=O)NC(c2ccccc2)=O)=O)cc1

InChI

InChI=1S/C25H21N5O3S/c1-34-18-13-11-16(12-14-18)15-26-29-25(33)22(27-23(31)17-7-3-2-4-8-17)21-19-9-5-6-10-20(19)24(32)30-28-21/h2-15,22H,1H3,(H,27,31)(H,29,33)(H,30,32)/t22-/m1/s1

InChI Key

LNICVXPBYFCRTB-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD01198979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.387

Distribution Coefficient, logD

3.387

Water Solubility, LogSw

-3.92

Polar Surface Area

95.711

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

References: we are preparing a list of scientific research reports with 2130-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2130-0126?
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What is the minimum amount of 2130-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2130-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2130-0126
  • 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 2130-0126 available by request