L559-0754 Screening compound: 7-(4-chlorophenyl)-3-[2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl]-1-ethyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
Chemical Structure Depiction of ChemDiv screening compound L559-0754
7-(4-chlorophenyl)-3-[2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl]-1-ethyl-1H,2H,3H,4H-[1,3]diazino[4,5-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
L559-0754
Molecular Formula
C26H22ClN5O3 (C26 H22 ClN5 O3)
Compound Name
7-(4-chlorophenyl)-3-[2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl]-1-ethyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
IUPAC name
7-(4-chlorophenyl)-3-[2-(12-dimethyl-1H-indol-3-yl)-2-oxoethyl]-1-ethyl-1H2H3H4H-[13]diazino[45-d]pyrimidine-24-dione
SMILES
CCN(c(nc(-c(cc1)ccc1Cl)nc1)c1C(N1CC(c2c(C)n(C)c3c2cccc3)=O)=O)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
487.95
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
4.655
Distribution Coefficient, logD
4.655
Water Solubility, LogSw
-5.01
Polar Surface Area
66.897
Acid Dissociation Constant (pKa)
18.51
Base Dissociation Constant (pKb)
-0.17
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
19.20
L559-0754 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Angiogenesis library (14822 compounds)
Anti-Inflammatory Library (24602 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Indole Derivatives (10091 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
Nonpeptide Peptidomimetics PPI Library (18997 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- Cancer
- Immune system
- Antiviral
- Infections
- Immune system
- Hemic and lymphatic
- Cardiovascular
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Cyclic compounds
- Mimetics
- PPI modulators
- Epigenetic
- PPI modulators
- Others
References: we are preparing a list of scientific research reports with L559-0754 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)