V013-9656 Screening compound: 2-[N-butyl-1-(4-methyl-3-nitrophenyl)formamido]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenyl-1H-pyrazol-5-yl]acetamide
Chemical Structure Depiction of ChemDiv screening compound V013-9656
2-[N-butyl-1-(4-methyl-3-nitrophenyl)formamido]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenyl-1H-pyrazol-5-yl]acetamide
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
V013-9656
Molecular Formula
C31H33N5O5 (C31 H33 N5 O5)
Compound Name
2-[N-butyl-1-(4-methyl-3-nitrophenyl)formamido]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenyl-1H-pyrazol-5-yl]acetamide
IUPAC name
2-[N-butyl-1-(4-methyl-3-nitrophenyl)formamido]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenyl-1H-pyrazol-5-yl]acetamide
SMILES
CCCCN(CC(Nc(n(-c(cc1)ccc1OC)nc1C)c1-c1ccccc1)=O)C(c1cc([N+]([O-])=O)c(C)cc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
555.63
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
13.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
5.505
Distribution Coefficient, logD
5.505
Water Solubility, LogSw
-5.46
Polar Surface Area
94.020
Acid Dissociation Constant (pKa)
11.68
Base Dissociation Constant (pKb)
-0.19
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
25.80
V013-9656 in Drug Discovery
Included in Screening Libraries
3CLpro Library (4801 compounds)
CORONAVIRUS Library (20774 compounds)
Histone Deacetylases (HDAC) Targeted Library (9760 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Cancer
- Nervous system
- Hemic and lymphatic
- Endocrine
- Immune system
- Epigenetic
References: we are preparing a list of scientific research reports with V013-9656 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)