D358-1729 Screening compound: 3-(2-chlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of ChemDiv screening compound D358-1729
3-(2-chlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-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
D358-1729
Molecular Formula
C23H18ClFN4O2S (C23 H18 ClFN4 O2 S)
Compound Name
3-(2-chlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
IUPAC name
3-(2-chlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5H-[13]thiazolo[32-a]pyrimidin-5-one
SMILES
O=C(C1=CN=C2SC=C(c(cccc3)c3Cl)N2C1=O)N(CC1)CCN1c(cc1)ccc1F
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
468.94
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.570
Distribution Coefficient, logD
3.570
Water Solubility, LogSw
-3.99
Polar Surface Area
45.153
Acid Dissociation Constant (pKa)
28.16
Base Dissociation Constant (pKb)
5.62
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
17.40
D358-1729 in Drug Discovery
Included in Screening Libraries
Nonpeptide Peptidomimetics PPI Library (18997 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with D358-1729 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)