F207-0425 Screening compound: methyl 3-{3-[(3-methylbutyl)carbamoyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of ChemDiv screening compound F207-0425
methyl 3-{3-[(3-methylbutyl)carbamoyl]phenyl}-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
F207-0425
Molecular Formula
C22H23N3O4S (C22 H23 N3 O4 S)
Compound Name
methyl 3-{3-[(3-methylbutyl)carbamoyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
IUPAC name
methyl 3-{3-[(3-methylbutyl)carbamoyl]phenyl}-4-oxo-2-sulfanylidene-1234-tetrahydroquinazoline-7-carboxylate
SMILES
CC(C)CCNC(c1cccc(N(C(c(ccc(C(OC)=O)c2)c2N2)=O)C2=S)c1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
425.51
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.596
Distribution Coefficient, logD
3.567
Water Solubility, LogSw
-3.87
Polar Surface Area
72.407
Acid Dissociation Constant (pKa)
8.56
Base Dissociation Constant (pKb)
-1.57
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
27.30
References: we are preparing a list of scientific research reports with F207-0425 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)