C241-0648 Screening compound: 3-(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione
Chemical Structure Depiction of ChemDiv screening compound C241-0648
3-(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione
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
C241-0648
Molecular Formula
C19H12F2N2O2S (C19 H12 F2 N2 O2 S)
Compound Name
3-(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione
IUPAC name
3-(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]-1H2H3H4H-thieno[32-d]pyrimidine-24-dione
SMILES
O=C(c(scc1)c1N1Cc2cc(F)ccc2)N(c(cc2)ccc2F)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
370.38
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
4.062
Distribution Coefficient, logD
4.062
Water Solubility, LogSw
-4.26
Polar Surface Area
31.674
Acid Dissociation Constant (pKa)
28.19
Base Dissociation Constant (pKb)
-5.54
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
5.30
C241-0648 in Drug Discovery
Included in Screening Libraries
CNS targets activity set (6557 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Agro
References: we are preparing a list of scientific research reports with C241-0648 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)