Y044-5228 Screening compound: N-[2-oxo-2-(3,4,5-trifluoroanilino)ethyl]-4-(2-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide
Chemical Structure Depiction of ChemDiv screening compound Y044-5228
N-[2-oxo-2-(3,4,5-trifluoroanilino)ethyl]-4-(2-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide
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
Y044-5228
Molecular Formula
C17H17F3N6O2 (C17 H17 F3 N6 O2)
Compound Name
N-[2-oxo-2-(3,4,5-trifluoroanilino)ethyl]-4-(2-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide
IUPAC name
2-{[4-(pyrimidin-2-yl)piperazine-1-carbonyl]amino}-N-(345-trifluorophenyl)acetamide
SMILES
O=C(CNC(N(CC1)CCN1c1ncccn1)=O)Nc(cc1F)cc(F)c1F
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
394.36
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.242
Distribution Coefficient, logD
1.989
Water Solubility, LogSw
-2.84
Polar Surface Area
71.802
Acid Dissociation Constant (pKa)
7.50
Base Dissociation Constant (pKb)
7.70
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
29.41
Y044-5228 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 Y044-5228 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)