D413-0151 Screening compound: N-[5,7-bis(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methoxybenzamide
Chemical Structure Depiction of ChemDiv screening compound D413-0151
N-[5,7-bis(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methoxybenzamide
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
D413-0151
Molecular Formula
C25H19Cl2N5O2 (C25 H19 Cl2 N5 O2)
Compound Name
N-[5,7-bis(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methoxybenzamide
IUPAC name
N-[57-bis(4-chlorophenyl)-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]-4-methoxybenzamide
SMILES
COc(cc1)ccc1C(Nc1nn(C(C=C(c(cc2)ccc2Cl)N2)c(cc3)ccc3Cl)c2n1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
492.36
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
6.220
Distribution Coefficient, logD
6.206
Water Solubility, LogSw
-6.53
Polar Surface Area
69.428
Acid Dissociation Constant (pKa)
8.18
Base Dissociation Constant (pKb)
-2.28
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
8.00
D413-0151 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
Protein-Protein Interaction Library (218420 compounds)
Therapeutical Diversity Annotated Library (7563 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- PPI modulators
References: we are preparing a list of scientific research reports with D413-0151 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)