E918-0440 Screening compound: N3-(4-fluorophenyl)-N6-(2-methoxyphenyl)-5-methyl-7-(3-nitrophenyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
Chemical Structure Depiction of ChemDiv screening compound E918-0440
N3-(4-fluorophenyl)-N6-(2-methoxyphenyl)-5-methyl-7-(3-nitrophenyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
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
E918-0440
Molecular Formula
C28H23FN6O5 (C28 H23 FN6 O5)
Compound Name
N3-(4-fluorophenyl)-N6-(2-methoxyphenyl)-5-methyl-7-(3-nitrophenyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
IUPAC name
N3-(4-fluorophenyl)-N6-(2-methoxyphenyl)-5-methyl-7-(3-nitrophenyl)-4H7H-pyrazolo[15-a]pyrimidine-36-dicarboxamide
SMILES
CC(Nc(n(C1c2cc([N+]([O-])=O)ccc2)nc2)c2C(Nc(cc2)ccc2F)=O)=C1C(Nc(cccc1)c1OC)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
542.53
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
11
Partition Coefficient, logP
4.568
Distribution Coefficient, logD
4.566
Water Solubility, LogSw
-4.43
Polar Surface Area
110.660
Acid Dissociation Constant (pKa)
10.02
Base Dissociation Constant (pKb)
4.11
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
10.70
E918-0440 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Cancer
References: we are preparing a list of scientific research reports with E918-0440 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)