D413-0040 Screening compound: N-[7-(4-chlorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound D413-0040
N-[7-(4-chlorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide
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
D413-0040
Molecular Formula
C22H16ClN5O2 (C22 H16 ClN5 O2)
Compound Name
N-[7-(4-chlorophenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide
IUPAC name
N-[7-(4-chlorophenyl)-5-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]furan-2-carboxamide
SMILES
O=C(c1ccco1)Nc1nn(C(C=C(c2ccccc2)N2)c(cc3)ccc3Cl)c2n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
417.85
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.810
Distribution Coefficient, logD
4.800
Water Solubility, LogSw
-5.30
Polar Surface Area
70.463
Acid Dissociation Constant (pKa)
9.03
Base Dissociation Constant (pKb)
-2.78
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
4.50
D413-0040 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Anticancer Library (62698 compounds)
Antiviral Annotated Library (21441 compounds)
Antiviral HBV Library (10007 compounds)
Antiviral Library (67538 compounds)
Human Proteases Annotated Library (2868 compounds)
Protein-Protein Interaction Library (218420 compounds)
Therapeutical Diversity Annotated Library (7563 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Type II Kinase Inhibitors Library (6956 compounds)
Included in 1.7M Stock Database
- 3D
- Cancer
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- Digestive system
- Hemic and lymphatic
- Endocrine
- PPI modulators
- Receptor's ligands
- GPCR
- Kinases
References: we are preparing a list of scientific research reports with D413-0040 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)