Y020-2991 Screening compound: 10-[2-(4-bromophenyl)-2-oxoethyl]-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione
Chemical Structure Depiction of ChemDiv screening compound Y020-2991
10-[2-(4-bromophenyl)-2-oxoethyl]-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-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
Y020-2991
Molecular Formula
C20H17BrN2O3 (C20 H17 BrN2 O3)
Compound Name
10-[2-(4-bromophenyl)-2-oxoethyl]-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione
IUPAC name
9-[2-(4-bromophenyl)-2-oxoethyl]-39-diazatricyclo[8.4.0.0^{37}]tetradeca-1(14)1012-triene-28-dione
SMILES
O=C(CN(c(cccc1)c1C(N1C2CCC1)=O)C2=O)c(cc1)ccc1Br
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
413.27
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.324
Distribution Coefficient, logD
2.324
Water Solubility, LogSw
-2.90
Polar Surface Area
45.520
Acid Dissociation Constant (pKa)
19.53
Base Dissociation Constant (pKb)
-7.22
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
25.00
Y020-2991 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
GPCR Targeted Library (31838 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
Anti-HIV1 Library (19540 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
New Agro Library (44492 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Hemic and lymphatic
- Cardiovascular
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Antiviral
- Infections
- Immune system
- GPCR
- Others
- Receptor's ligands
- Epigenetic
- PPI modulators
- PPI modulators
- Cyclic compounds
- Mimetics
- Agro
References: we are preparing a list of scientific research reports with Y020-2991 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)