S956-0059 Screening compound: 4-{3-(hydroxymethyl)-4-[(4-methyl-1,3-oxazol-5-yl)carbonyl]piperazino}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of ChemDiv screening compound S956-0059
4-{3-(hydroxymethyl)-4-[(4-methyl-1,3-oxazol-5-yl)carbonyl]piperazino}-2-(trifluoromethyl)benzonitrile
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
S956-0059
Molecular Formula
C18H17F3N4O3 (C18 H17 F3 N4 O3)
Compound Name
4-{3-(hydroxymethyl)-4-[(4-methyl-1,3-oxazol-5-yl)carbonyl]piperazino}-2-(trifluoromethyl)benzonitrile
IUPAC name
4-[3-(hydroxymethyl)-4-(4-methyl-13-oxazole-5-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
SMILES
Cc1c(C(N(CC2)C(CO)CN2c(cc2)cc(C(F)(F)F)c2C#N)=O)ocn1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
394.35
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.323
Distribution Coefficient, logD
1.323
Water Solubility, LogSw
-2.24
Polar Surface Area
72.812
Acid Dissociation Constant (pKa)
15.88
Base Dissociation Constant (pKb)
0.87
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
38.89
S956-0059 in Drug Discovery
Included in Screening Libraries
Androgen Receptor Antagonists Library (4240 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- Cancer
- Male
- Skin
- Endocrine
- Nuclear receptors
- Receptor's ligands
- PPI modulators
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with S956-0059 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of S956-0059, 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)