C444-0121 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N,N-bis(2-methylpropyl)piperidine-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound C444-0121
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N,N-bis(2-methylpropyl)piperidine-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
C444-0121
Molecular Formula
C20H30N4O3S2 (C20 H30 N4 O3 S2)
Compound Name
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N,N-bis(2-methylpropyl)piperidine-3-carboxamide
IUPAC name
1-(213-benzothiadiazole-4-sulfonyl)-NN-bis(2-methylpropyl)piperidine-3-carboxamide
SMILES
CC(C)CN(CC(C)C)C(C(CCC1)CN1S(c1cccc2nsnc12)(=O)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
438.62
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.775
Distribution Coefficient, logD
3.775
Water Solubility, LogSw
-3.88
Polar Surface Area
69.318
Acid Dissociation Constant (pKa)
22.98
Base Dissociation Constant (pKb)
4.95
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
65.00
C444-0121 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Included in 1.7M Stock Database
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with C444-0121 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)