M284-0491 Screening compound: 2-[7-fluoro-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N~1~-(3-methoxybenzyl)acetamide
Chemical Structure Depiction of ChemDiv screening compound M284-0491
2-[7-fluoro-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N~1~-(3-methoxybenzyl)acetamide
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
M284-0491
Molecular Formula
C22H22FN3O4 (C22 H22 FN3 O4)
Compound Name
2-[7-fluoro-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N~1~-(3-methoxybenzyl)acetamide
IUPAC name
2-{13-fluoro-28-dioxo-39-diazatricyclo[8.4.0.0^{37}]tetradeca-1(14)1012-trien-9-yl}-N-[(3-methoxyphenyl)methyl]acetamide
SMILES
COc1cccc(CNC(CN(c(ccc(F)c2)c2C(N2C3CCC2)=O)C3=O)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
411.43
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.674
Distribution Coefficient, logD
1.674
Water Solubility, LogSw
-2.47
Polar Surface Area
64.288
Acid Dissociation Constant (pKa)
13.59
Base Dissociation Constant (pKb)
0.06
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
31.80
M284-0491 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
Antimitotic Tubulin Library (17355 compounds)
Antiviral Library (67538 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
Nonpeptide Peptidomimetics PPI Library (18997 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Protein-Protein Interaction Library (218420 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
SmartTM Library (51161 compounds)
Beyond the Flatland Library sp3 enriched (92988 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
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Antiviral
- Infections
- Immune system
- Hemic and lymphatic
- Cardiovascular
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Cancer
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
- Cyclic compounds
- Mimetics
- Mimetics
- Proteases
References: we are preparing a list of scientific research reports with M284-0491 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)