V001-2058 Screening compound: N-(adamantan-1-yl)-4-{2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}piperazine-1-carboxamide
Chemical Structure Depiction of ChemDiv screening compound V001-2058
N-(adamantan-1-yl)-4-{2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}piperazine-1-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
V001-2058
Molecular Formula
C29H39N5O (C29 H39 N5 O)
Compound Name
N-(adamantan-1-yl)-4-{2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}piperazine-1-carboxamide
IUPAC name
N-(adamantan-1-yl)-4-{26-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}piperazine-1-carboxamide
SMILES
Cc1ccc(Cc2c(C)nc(C)nc2N(CC2)CCN2C(NC2(CC(C3)C4)CC4CC3C2)=O)cc1
InChI Key
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
473.66
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
5.884
Distribution Coefficient, logD
5.795
Water Solubility, LogSw
-5.52
Polar Surface Area
48.408
Acid Dissociation Constant (pKa)
15.80
Base Dissociation Constant (pKb)
6.76
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
62.10
References: we are preparing a list of scientific research reports with V001-2058 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)