V001-7032 Screening compound: ethyl 5-tert-butyl-1-[1-(3,4-difluorobenzenesulfonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of ChemDiv screening compound V001-7032
ethyl 5-tert-butyl-1-[1-(3,4-difluorobenzenesulfonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate
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
V001-7032
Molecular Formula
C21H27F2N3O4S (C21 H27 F2 N3 O4 S)
Compound Name
ethyl 5-tert-butyl-1-[1-(3,4-difluorobenzenesulfonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate
IUPAC name
ethyl 5-tert-butyl-1-[1-(34-difluorobenzenesulfonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate
SMILES
CCOC(c1nn(C(CC2)CCN2S(c(cc2)cc(F)c2F)(=O)=O)c(C(C)(C)C)c1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
455.53
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.425
Distribution Coefficient, logD
4.425
Water Solubility, LogSw
-4.24
Polar Surface Area
65.439
Acid Dissociation Constant (pKa)
27.41
Base Dissociation Constant (pKb)
-0.37
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
52.40
V001-7032 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Agro
References: we are preparing a list of scientific research reports with V001-7032 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)