F207-0248 Screening compound: methyl 3-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of ChemDiv screening compound F207-0248
methyl 3-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
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
F207-0248
Molecular Formula
C24H32N4O4S (C24 H32 N4 O4 S)
Compound Name
methyl 3-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
IUPAC name
methyl 3-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutyl]-4-oxo-2-sulfanylidene-1234-tetrahydroquinazoline-7-carboxylate
SMILES
COC(c(cc1)cc(NC(N2CCCC(N(CC3)CCN3C3CCCCC3)=O)=S)c1C2=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
472.61
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.801
Distribution Coefficient, logD
2.499
Water Solubility, LogSw
-3.46
Polar Surface Area
67.956
Acid Dissociation Constant (pKa)
9.42
Base Dissociation Constant (pKb)
7.40
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
58.30
References: we are preparing a list of scientific research reports with F207-0248 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)