3396-0041 Screening compound: [(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]methyl 4-(methylsulfanyl)-2-(phenylformamido)butanoate
Chemical Structure Depiction of ChemDiv screening compound 3396-0041
[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]methyl 4-(methylsulfanyl)-2-(phenylformamido)butanoate
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
3396-0041
Molecular Formula
C22H23N3O5S2 (C22 H23 N3 O5 S2)
Compound Name
[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]methyl 4-(methylsulfanyl)-2-(phenylformamido)butanoate
IUPAC name
[(6-methoxy-13-benzothiazol-2-yl)carbamoyl]methyl 4-(methylsulfanyl)-2-(phenylformamido)butanoate
SMILES
COc(cc1)cc2c1nc(NC(COC(C(CCSC)NC(c1ccccc1)=O)=O)=O)s2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
473.57
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
13.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.505
Distribution Coefficient, logD
3.505
Water Solubility, LogSw
-3.95
Polar Surface Area
85.866
Acid Dissociation Constant (pKa)
11.66
Base Dissociation Constant (pKb)
0.38
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
27.30
3396-0041 in Drug Discovery
Included in Screening Libraries
Protein Kinases Inhibitors Library (36801 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- Kinases
- GPCR
- Receptor's ligands
References: we are preparing a list of scientific research reports with 3396-0041 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)