8003-5117 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-N'-[(E)-(2-methoxy-5-nitrophenyl)methylidene]acetohydrazide

8003-5117 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-N'-[(E)-(2-methoxy-5-nitrophenyl)methylidene]acetohydrazide
8003-5117 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-N'-[(E)-(2-methoxy-5-nitrophenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-5117
2-{[(3-chlorophenyl)methyl]sulfanyl}-N'-[(E)-(2-methoxy-5-nitrophenyl)methylidene]acetohydrazide

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

8003-5117

Molecular Formula

C17H16ClN3O4S (C17 H16 ClN3 O4 S)

Compound Name

2-{[(3-chlorophenyl)methyl]sulfanyl}-N'-[(E)-(2-methoxy-5-nitrophenyl)methylidene]acetohydrazide

IUPAC name

2-{[(3-chlorophenyl)methyl]sulfanyl}-N'-[(E)-(2-methoxy-5-nitrophenyl)methylidene]acetohydrazide

SMILES

COc(cc1)c(/C=N/NC(CSCc2cccc(Cl)c2)=O)cc1[N+]([O-])=O

InChI

InChI=1S/C17H16ClN3O4S/c1-25-16-6-5-15(21(23)24)8-13(16)9-19-20-17(22)11-26-10-12-3-2-4-14(18)7-12/h2-9H,10-11H2,1H3,(H,20,22)

InChI Key

HHNLAHDQEJUVSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00744228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.85

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.794

Distribution Coefficient, logD

4.793

Water Solubility, LogSw

-4.94

Polar Surface Area

76.353

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

8003-5117 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8003-5117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-5117?
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What is the minimum amount of 8003-5117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-5117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-5117
  • 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 8003-5117 available by request