C301-3354 Screening compound: 1-(adamantan-1-yl)-4-nitro-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound C301-3354
1-(adamantan-1-yl)-4-nitro-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide
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
C301-3354
Molecular Formula
C23H28N4O3 (C23 H28 N4 O3)
Compound Name
1-(adamantan-1-yl)-4-nitro-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide
IUPAC name
1-(adamantan-1-yl)-4-nitro-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide
SMILES
CC(CNC(c1nn(C2(CC(C3)C4)CC4CC3C2)cc1[N+]([O-])=O)=O)c1ccccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
408.5
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.901
Distribution Coefficient, logD
4.901
Water Solubility, LogSw
-4.55
Polar Surface Area
72.328
Acid Dissociation Constant (pKa)
11.83
Base Dissociation Constant (pKb)
-0.44
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
56.50
C301-3354 in Drug Discovery
Included in Screening Libraries
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Phosphatases
References: we are preparing a list of scientific research reports with C301-3354 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)