L610-0056 Screening compound: N~1~-[2-(1-cyclohexenyl)ethyl]-4-{[5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]methyl}benzamide
Chemical Structure Depiction of ChemDiv screening compound L610-0056
N~1~-[2-(1-cyclohexenyl)ethyl]-4-{[5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-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
L610-0056
Molecular Formula
C28H31N3O3 (C28 H31 N3 O3)
Compound Name
N~1~-[2-(1-cyclohexenyl)ethyl]-4-{[5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]methyl}benzamide
IUPAC name
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-({28-dioxo-39-diazatricyclo[8.4.0.0^{37}]tetradeca-1(14)1012-trien-9-yl}methyl)benzamide
SMILES
O=C(c1ccc(CN(c(cccc2)c2C(N2C3CCC2)=O)C3=O)cc1)NCCC1=CCCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
457.57
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.942
Distribution Coefficient, logD
2.942
Water Solubility, LogSw
-3.67
Polar Surface Area
56.720
Acid Dissociation Constant (pKa)
13.64
Base Dissociation Constant (pKb)
-2.39
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
39.30
L610-0056 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Allosteric Kinases Inhibitors Library (23117 compounds)
Anticancer Library (62698 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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)
Anti-HIV1 Library (19540 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
- Cancer
- Female
- Congenital
- Skin
- Cancer
- 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
- Antiviral
- Infections
- Immune system
- Cancer
- Kinases
- GPCR
- Proteases
- Receptor's ligands
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
- Mimetics
References: we are preparing a list of scientific research reports with L610-0056 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)