7833-0557 Screening compound: 3-chloro-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound 7833-0557
3-chloro-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-benzothiophene-2-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
7833-0557
Molecular Formula
C24H17ClN2O2S (C24 H17 ClN2 O2 S)
Compound Name
3-chloro-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-benzothiophene-2-carboxamide
IUPAC name
3-chloro-N-[2-methyl-5-(6-methyl-13-benzoxazol-2-yl)phenyl]-1-benzothiophene-2-carboxamide
SMILES
Cc(cc1)cc2c1nc(-c1cc(NC(c(sc3c4cccc3)c4Cl)=O)c(C)cc1)o2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
432.93
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
6.700
Distribution Coefficient, logD
6.700
Water Solubility, LogSw
-6.55
Polar Surface Area
40.189
Acid Dissociation Constant (pKa)
11.40
Base Dissociation Constant (pKb)
-0.19
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
8.30
7833-0557 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 7833-0557 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)