S213-1395 Screening compound: 3-chloro-4-fluoro-N-propyl-N-(tetrahydro-3-furanylmethyl)benzamide
Chemical Structure Depiction of ChemDiv screening compound S213-1395
3-chloro-4-fluoro-N-propyl-N-(tetrahydro-3-furanylmethyl)benzamide
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
S213-1395
Molecular Formula
C15H19ClFNO2 (C15 H19 ClFNO2)
Compound Name
3-chloro-4-fluoro-N-propyl-N-(tetrahydro-3-furanylmethyl)benzamide
IUPAC name
3-chloro-4-fluoro-N-[(oxolan-3-yl)methyl]-N-propylbenzamide
SMILES
CCCN(CC1COCC1)C(c(cc1)cc(Cl)c1F)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
299.77
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
2.960
Distribution Coefficient, logD
2.960
Water Solubility, LogSw
-3.49
Polar Surface Area
25.393
Acid Dissociation Constant (pKa)
25.43
Base Dissociation Constant (pKb)
-1.06
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
53.33
S213-1395 in Drug Discovery
Included in Screening Libraries
CNS MPO Library (28609 compounds)
Protein-Protein Interaction Library (218420 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Included in 1.7M Stock Database
- Nervous system
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Cancer
- PPI modulators
- PPI modulators
- Proteases
- Cyclic compounds
References: we are preparing a list of scientific research reports with S213-1395 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)