V023-1701 Screening compound: 4-methoxy-N-[(oxolan-2-yl)methyl]-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidine-5-carboxamide
Chemical Structure Depiction of ChemDiv screening compound V023-1701
4-methoxy-N-[(oxolan-2-yl)methyl]-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidine-5-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
V023-1701
Molecular Formula
C22H26F3N5O3 (C22 H26 F3 N5 O3)
Compound Name
4-methoxy-N-[(oxolan-2-yl)methyl]-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidine-5-carboxamide
IUPAC name
4-methoxy-N-[(oxolan-2-yl)methyl]-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidine-5-carboxamide
SMILES
COc(nc(N(CC1)CCN1c1cccc(C(F)(F)F)c1)nc1)c1C(NCC1OCCC1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
465.48
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.048
Distribution Coefficient, logD
3.048
Water Solubility, LogSw
-3.32
Polar Surface Area
66.340
Acid Dissociation Constant (pKa)
10.72
Base Dissociation Constant (pKb)
6.36
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
50.00
V023-1701 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Hemic and lymphatic
- Cardiovascular
- Agro
References: we are preparing a list of scientific research reports with V023-1701 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)