C260-1161 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(1-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide
Chemical Structure Depiction of ChemDiv screening compound C260-1161
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(1-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide
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
C260-1161
Molecular Formula
C33H27ClN4O6 (C33 H27 ClN4 O6)
Compound Name
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(1-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide
IUPAC name
N-[(2H-13-benzodioxol-5-yl)methyl]-4-[(1-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-24-dioxo-1234-tetrahydroquinazolin-3-yl)methyl]benzamide
SMILES
Cc(ccc(Cl)c1)c1NC(CN(c(cccc1)c1C(N1Cc(cc2)ccc2C(NCc(cc2)cc3c2OCO3)=O)=O)C1=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
611.05
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
4.587
Distribution Coefficient, logD
4.587
Water Solubility, LogSw
-4.65
Polar Surface Area
95.247
Acid Dissociation Constant (pKa)
10.73
Base Dissociation Constant (pKb)
-0.38
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
15.20
C260-1161 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Anticancer Library (62698 compounds)
Antiviral Annotated Library (21441 compounds)
Regenerative Medicine Focused Library (23016 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Cancer
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
References: we are preparing a list of scientific research reports with C260-1161 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)