S333-0359 Screening compound: 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
Chemical Structure Depiction of ChemDiv screening compound S333-0359
2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrol-1-yl]-N-(3,4,5-trimethoxyphenyl)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
S333-0359
Molecular Formula
C23H22N4O5 (C23 H22 N4 O5)
Compound Name
2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
IUPAC name
2-[2-(3-phenyl-124-oxadiazol-5-yl)-1H-pyrrol-1-yl]-N-(345-trimethoxyphenyl)acetamide
SMILES
COc1cc(NC(Cn2c(-c3nc(-c4ccccc4)no3)ccc2)=O)cc(OC)c1OC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
434.45
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
3.960
Distribution Coefficient, logD
3.959
Water Solubility, LogSw
-4.05
Polar Surface Area
79.361
Acid Dissociation Constant (pKa)
10.14
Base Dissociation Constant (pKb)
1.73
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
17.40
S333-0359 in Drug Discovery
Included in Screening Libraries
Antimitotic Tubulin Library (17355 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
MEF2-HDAC (class II) Modulators Library (5147 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Cancer
- Musculoskeletal
- Female
- Hemic and lymphatic
- Cardiovascular
- PPI modulators
- Epigenetic
References: we are preparing a list of scientific research reports with S333-0359 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of S333-0359, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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)