8002-5856 Screening compound: 2-{[(4-hydroxy-3,5-dimethylphenyl)methyl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide

8002-5856 Screening compound: 2-{[(4-hydroxy-3,5-dimethylphenyl)methyl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide
8002-5856 Screening compound: 2-{[(4-hydroxy-3,5-dimethylphenyl)methyl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-5856
2-{[(4-hydroxy-3,5-dimethylphenyl)methyl]sulfanyl}-N'-[(E)-(4-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

8002-5856

Molecular Formula

C18H19N3O4S (C18 H19 N3 O4 S)

Compound Name

2-{[(4-hydroxy-3,5-dimethylphenyl)methyl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide

IUPAC name

2-{[(4-hydroxy-35-dimethylphenyl)methyl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide

SMILES

Cc1cc(CSCC(N/N=C/c(cc2)ccc2[N+]([O-])=O)=O)cc(C)c1O

InChI

InChI=1S/C18H19N3O4S/c1-12-7-15(8-13(2)18(12)23)10-26-11-17(22)20-19-9-14-3-5-16(6-4-14)21(24)25/h3-9,23H,10-11H2,1-2H3,(H,20,22)

InChI Key

PJWNPFXWBRUNQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00577675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.603

Distribution Coefficient, logD

3.601

Water Solubility, LogSw

-3.66

Polar Surface Area

84.201

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8002-5856 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8002-5856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-5856?
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What is the minimum amount of 8002-5856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-5856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-5856
  • 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 8002-5856 available by request