V003-9824 Screening compound: 4-methyl-6-[4-(oxolane-3-carbonyl)piperazin-1-yl]-2-phenyl-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidine
Chemical Structure Depiction of ChemDiv screening compound V003-9824
4-methyl-6-[4-(oxolane-3-carbonyl)piperazin-1-yl]-2-phenyl-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidine
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
V003-9824
Molecular Formula
C28H29F3N4O2 (C28 H29 F3 N4 O2)
Compound Name
4-methyl-6-[4-(oxolane-3-carbonyl)piperazin-1-yl]-2-phenyl-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidine
IUPAC name
4-methyl-6-[4-(oxolane-3-carbonyl)piperazin-1-yl]-2-phenyl-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidine
SMILES
Cc1nc(-c2ccccc2)nc(N(CC2)CCN2C(C2COCC2)=O)c1Cc1cccc(C(F)(F)F)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
510.56
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
5.791
Distribution Coefficient, logD
5.716
Water Solubility, LogSw
-5.69
Polar Surface Area
47.650
Acid Dissociation Constant (pKa)
20.84
Base Dissociation Constant (pKb)
6.68
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
39.30
V003-9824 in Drug Discovery
Included in Screening Libraries
Akt-Targeted Library (14764 compounds)
Included in 1.7M Stock Database
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Kinases
References: we are preparing a list of scientific research reports with V003-9824 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)