8003-8690 Screening compound: N-[2-(benzylsulfanyl)-1-{N'-[(E)-(3-methoxy-4-methylphenyl)methylidene]hydrazinecarbonyl}ethyl]-3,5-dinitrobenzamide

8003-8690 Screening compound: N-[2-(benzylsulfanyl)-1-{N'-[(E)-(3-methoxy-4-methylphenyl)methylidene]hydrazinecarbonyl}ethyl]-3,5-dinitrobenzamide
8003-8690 Screening compound: N-[2-(benzylsulfanyl)-1-{N'-[(E)-(3-methoxy-4-methylphenyl)methylidene]hydrazinecarbonyl}ethyl]-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-8690
N-[2-(benzylsulfanyl)-1-{N'-[(E)-(3-methoxy-4-methylphenyl)methylidene]hydrazinecarbonyl}ethyl]-3,5-dinitrobenzamide

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

8003-8690

Molecular Formula

C26H25N5O7S (C26 H25 N5 O7 S)

Compound Name

N-[2-(benzylsulfanyl)-1-{N'-[(E)-(3-methoxy-4-methylphenyl)methylidene]hydrazinecarbonyl}ethyl]-3,5-dinitrobenzamide

IUPAC name

N-[2-(benzylsulfanyl)-1-{N'-[(E)-(3-methoxy-4-methylphenyl)methylidene]hydrazinecarbonyl}ethyl]-35-dinitrobenzamide

SMILES

Cc(ccc(/C=N/NC(C(CSCc1ccccc1)NC(c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O)=O)c1)c1OC

InChI

InChI=1S/C26H25N5O7S/c1-17-8-9-19(10-24(17)38-2)14-27-29-26(33)23(16-39-15-18-6-4-3-5-7-18)28-25(32)20-11-21(30(34)35)13-22(12-20)31(36)37/h3-14,23H,15-16H2,1-2H3,(H,28,32)(H,29,33)/t23-/m0/s1

InChI Key

VRKVGRUOHQXMIA-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00470582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.58

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.839

Distribution Coefficient, logD

4.838

Water Solubility, LogSw

-4.75

Polar Surface Area

133.991

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

8003-8690 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8003-8690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-8690?
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What is the minimum amount of 8003-8690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-8690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-8690
  • 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 8003-8690 available by request