0KPI-0081 Screening compound: 4-(adamantan-1-yl)-2,3-dihydro-1,3-thiazol-2-one
Chemical Structure Depiction of ChemDiv screening compound 0KPI-0081
4-(adamantan-1-yl)-2,3-dihydro-1,3-thiazol-2-one
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
0KPI-0081
Molecular Formula
C13H17NOS (C13 H17 NOS)
Compound Name
4-(adamantan-1-yl)-2,3-dihydro-1,3-thiazol-2-one
IUPAC name
4-(adamantan-1-yl)-23-dihydro-13-thiazol-2-one
SMILES
O=C1SC=C(C2(CC(C3)C4)CC4CC3C2)N1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
235.35
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
3.921
Distribution Coefficient, logD
2.460
Water Solubility, LogSw
-4.04
Polar Surface Area
24.505
Acid Dissociation Constant (pKa)
5.95
Base Dissociation Constant (pKb)
-1.63
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
76.90
0KPI-0081 in Drug Discovery
Included in Screening Libraries
3D-Fragment Library (4274 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
- 3D
- Fragments
References: we are preparing a list of scientific research reports with 0KPI-0081 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)