T495-0199 Screening compound: N~1~-{[5-(2,4-difluorobenzoyl)-3-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl]methyl}propanamide
Chemical Structure Depiction of ChemDiv screening compound T495-0199
N~1~-{[5-(2,4-difluorobenzoyl)-3-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl]methyl}propanamide
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
T495-0199
Molecular Formula
C18H20F2N4O2 (C18 H20 F2 N4 O2)
Compound Name
N~1~-{[5-(2,4-difluorobenzoyl)-3-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl]methyl}propanamide
IUPAC name
n/a
SMILES
CCC(NCc1nc(CCN(C2)C(c(ccc(F)c3)c3F)=O)c2n1C)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
362.38
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.372
Distribution Coefficient, logD
1.372
Water Solubility, LogSw
-2.56
Polar Surface Area
55.002
Acid Dissociation Constant (pKa)
13.29
Base Dissociation Constant (pKb)
3.96
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
38.90
T495-0199 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Antiviral Library (67538 compounds)
Bromodomain Modulators Library (5801 compounds)
Nucleic Acid Ligands (8311 compounds)
Protein-Protein Interaction Library (218420 compounds)
Anti-HIV1 Library (19540 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- 3D
- Cyclic compounds
- Antiviral
- Infections
- Immune system
- Infections
- Cancer
- Musculoskeletal
- Nervous system
- Hemic and lymphatic
- Immune system
- Antiviral
- Infections
- Immune system
- PPI modulators
References: we are preparing a list of scientific research reports with T495-0199 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)