C597-0660 Screening compound: ethyl 2-{2-[2-(N-methyl1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)acetamido]-1,3-thiazol-4-yl}acetate
Chemical Structure Depiction of ChemDiv screening compound C597-0660
ethyl 2-{2-[2-(N-methyl1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)acetamido]-1,3-thiazol-4-yl}acetate
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
C597-0660
Molecular Formula
C20H23N5O7S2 (C20 H23 N5 O7 S2)
Compound Name
ethyl 2-{2-[2-(N-methyl1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)acetamido]-1,3-thiazol-4-yl}acetate
IUPAC name
ethyl 2-{2-[2-(N-methyl13-dimethyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamido)acetamido]-13-thiazol-4-yl}acetate
SMILES
CCOC(Cc1csc(NC(CN(C)S(c(cc2)cc(C(N3C)=O)c2N(C)C3=O)(=O)=O)=O)n1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
509.56
Hydrogen Bond Acceptors Count
15.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
12
Partition Coefficient, logP
1.764
Distribution Coefficient, logD
1.746
Water Solubility, LogSw
-2.91
Polar Surface Area
117.755
Acid Dissociation Constant (pKa)
8.79
Base Dissociation Constant (pKb)
-1.84
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
35.00
C597-0660 in Drug Discovery
Included in Screening Libraries
Antibacterial Compounds Library (13827 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
References: we are preparing a list of scientific research reports with C597-0660 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)