L397-0256 Screening compound: N~1~-(3-chloro-4-methylphenyl)-2-[4-isopentyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide
Chemical Structure Depiction of ChemDiv screening compound L397-0256
N~1~-(3-chloro-4-methylphenyl)-2-[4-isopentyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-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
L397-0256
Molecular Formula
C21H22ClN5O3S (C21 H22 ClN5 O3 S)
Compound Name
N~1~-(3-chloro-4-methylphenyl)-2-[4-isopentyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide
IUPAC name
N-(3-chloro-4-methylphenyl)-2-[8-(3-methylbutyl)-712-dioxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-trien-11-yl]acetamide
SMILES
CC(C)CCN(C(N1c2c3scc2)=NN(CC(Nc2cc(Cl)c(C)cc2)=O)C1=O)C3=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
459.96
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
4.994
Distribution Coefficient, logD
4.994
Water Solubility, LogSw
-5.06
Polar Surface Area
72.353
Acid Dissociation Constant (pKa)
11.24
Base Dissociation Constant (pKb)
1.63
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
33.30
L397-0256 in Drug Discovery
Included in Screening Libraries
Serine Proteases Inhibitors Library (32732 compounds)
Included in 1.7M Stock Database
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Proteases
References: we are preparing a list of scientific research reports with L397-0256 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)