8003-8671 Screening compound: N-[2-(benzylsulfanyl)-1-{N'-[(E)-{4-[(naphthalen-2-yl)methoxy]phenyl}methylidene]hydrazinecarbonyl}ethyl]-3,5-dinitrobenzamide
Chemical Structure Depiction of ChemDiv screening compound 8003-8671
N-[2-(benzylsulfanyl)-1-{N'-[(E)-{4-[(naphthalen-2-yl)methoxy]phenyl}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
8003-8671
Molecular Formula
C35H29N5O7S (C35 H29 N5 O7 S)
Compound Name
N-[2-(benzylsulfanyl)-1-{N'-[(E)-{4-[(naphthalen-2-yl)methoxy]phenyl}methylidene]hydrazinecarbonyl}ethyl]-3,5-dinitrobenzamide
IUPAC name
N-[2-(benzylsulfanyl)-1-{N'-[(E)-{4-[(naphthalen-2-yl)methoxy]phenyl}methylidene]hydrazinecarbonyl}ethyl]-35-dinitrobenzamide
SMILES
[O-][N+](c1cc(C(NC(CSCc2ccccc2)C(N/N=C/c(cc2)ccc2OCc2cc3ccccc3cc2)=O)=O)cc([N+]([O-])=O)c1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
663.71
Hydrogen Bond Acceptors Count
15.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
16.00
Number of Nitrogen and Oxygen Atoms
12
Partition Coefficient, logP
7.016
Distribution Coefficient, logD
7.015
Water Solubility, LogSw
-6.89
Polar Surface Area
133.317
Acid Dissociation Constant (pKa)
9.87
Base Dissociation Constant (pKb)
0.62
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
11.40
8003-8671 in Drug Discovery
Included in Screening Libraries
Regenerative Medicine Focused Library (23016 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Phosphatases
References: we are preparing a list of scientific research reports with 8003-8671 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)