3553-2133 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)pentanamide
Chemical Structure Depiction of ChemDiv screening compound 3553-2133
N-(2,1,3-benzothiadiazol-4-yl)pentanamide
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
3553-2133
Molecular Formula
C11H13N3OS (C11 H13 N3 OS)
Compound Name
N-(2,1,3-benzothiadiazol-4-yl)pentanamide
IUPAC name
N-(213-benzothiadiazol-4-yl)pentanamide
SMILES
CCCCC(Nc1cccc2nsnc12)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
235.31
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
2.740
Distribution Coefficient, logD
2.740
Water Solubility, LogSw
-3.07
Polar Surface Area
43.643
Acid Dissociation Constant (pKa)
10.56
Base Dissociation Constant (pKb)
-1.33
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
36.40
3553-2133 in Drug Discovery
Included in Screening Libraries
CNS MPO Library (28609 compounds)
Included in 1.7M Stock Database
- Nervous system
References: we are preparing a list of scientific research reports with 3553-2133 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)