T599-2599 Screening compound: 1-(2,5-dimethylbenzoyl)-5-(2-methoxyethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
Chemical Structure Depiction of ChemDiv screening compound T599-2599
1-(2,5-dimethylbenzoyl)-5-(2-methoxyethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
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
T599-2599
Molecular Formula
C21H26N2O2 (C21 H26 N2 O2)
Compound Name
1-(2,5-dimethylbenzoyl)-5-(2-methoxyethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
IUPAC name
1-(25-dimethylbenzoyl)-5-(2-methoxyethyl)-2345-tetrahydro-1H-15-benzodiazepine
SMILES
Cc1cc(C(N2c(cccc3)c3N(CCOC)CCC2)=O)c(C)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
338.45
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
4.262
Distribution Coefficient, logD
4.262
Water Solubility, LogSw
-4.27
Polar Surface Area
27.117
Acid Dissociation Constant (pKa)
27.18
Base Dissociation Constant (pKb)
5.61
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
38.10
T599-2599 in Drug Discovery
Included in Screening Libraries
Anti-Aging Library (44940 compounds)
Bromodomain Modulators Library (5801 compounds)
Protein-Protein Interaction Library (218420 compounds)
Antibacterial Compounds Library (13827 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Infections
- Immune system
- animal
- Epigenetic
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with T599-2599 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)