E524-1759 Screening compound: N~1~-[3-(methylanilino)propyl]-4-{[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]methyl}benzamide
Chemical Structure Depiction of ChemDiv screening compound E524-1759
N~1~-[3-(methylanilino)propyl]-4-{[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]methyl}benzamide
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
E524-1759
Molecular Formula
C28H27N5O2 (C28 H27 N5 O2)
Compound Name
N~1~-[3-(methylanilino)propyl]-4-{[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]methyl}benzamide
IUPAC name
N-{3-[methyl(phenyl)amino]propyl}-4-({7-oxo-2810-triazatricyclo[7.4.0.0^{26}]trideca-1(13)35911-pentaen-8-yl}methyl)benzamide
SMILES
CN(CCCNC(c1ccc(CN(C2=O)c3ncccc3-n3c2ccc3)cc1)=O)c1ccccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
465.55
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.667
Distribution Coefficient, logD
3.662
Water Solubility, LogSw
-3.77
Polar Surface Area
54.756
Acid Dissociation Constant (pKa)
13.54
Base Dissociation Constant (pKb)
8.61
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
17.90
E524-1759 in Drug Discovery
Included in Screening Libraries
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Phosphatases
References: we are preparing a list of scientific research reports with E524-1759 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)