L610-0812 Screening compound: 3-{[5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]methyl}-N~1~-[2-(4-methylpiperazino)ethyl]benzamide
Chemical Structure Depiction of ChemDiv screening compound L610-0812
3-{[5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]methyl}-N~1~-[2-(4-methylpiperazino)ethyl]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
L610-0812
Molecular Formula
C27H33N5O3 (C27 H33 N5 O3)
Compound Name
3-{[5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]methyl}-N~1~-[2-(4-methylpiperazino)ethyl]benzamide
IUPAC name
3-({28-dioxo-39-diazatricyclo[8.4.0.0^{37}]tetradeca-1(14)1012-trien-9-yl}methyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILES
CN1CCN(CCNC(c2cccc(CN(c(cccc3)c3C(N3C4CCC3)=O)C4=O)c2)=O)CC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
475.59
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
0.638
Distribution Coefficient, logD
-0.030
Water Solubility, LogSw
-2.37
Polar Surface Area
63.987
Acid Dissociation Constant (pKa)
11.95
Base Dissociation Constant (pKb)
7.96
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
44.40
L610-0812 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Allosteric Kinases Inhibitors Library (23117 compounds)
Anticancer Library (62698 compounds)
Antiviral Library (67538 compounds)
GPCR Targeted Library (31838 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
SmartTM Library (51161 compounds)
Targeted Diversity Library (40567 compounds)
Epigenetics Focused Set (26518 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Peptidomimetic Library (37031 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- 3D
- Mimetics
- Mimetics
- Mimetics
- Cancer
- Female
- Congenital
- Skin
- Cancer
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Hemic and lymphatic
- Cardiovascular
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Cancer
- Kinases
- GPCR
- Proteases
- Receptor's ligands
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with L610-0812 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)