C470-0755 Screening compound: 8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Chemical Structure Depiction of ChemDiv screening compound C470-0755
8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
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
C470-0755
Molecular Formula
C22H29N5O3 (C22 H29 N5 O3)
Compound Name
8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
IUPAC name
8-[(26-dimethylmorpholin-4-yl)methyl]-13-dimethyl-7-(2-phenylethyl)-2367-tetrahydro-1H-purine-26-dione
SMILES
CC1OC(C)CN(Cc2nc(N(C)C(N(C)C3=O)=O)c3n2CCc2ccccc2)C1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
411.5
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.190
Distribution Coefficient, logD
2.190
Water Solubility, LogSw
-2.38
Polar Surface Area
54.324
Acid Dissociation Constant (pKa)
22.44
Base Dissociation Constant (pKb)
3.86
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
50.00
C470-0755 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Anticancer Library (62698 compounds)
Dark Chemical Matter Library (18430 compounds)
PI3K-Targeted Library (17255 compounds)
Included in 1.7M Stock Database
- Cancer
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Pool
- Kinases
References: we are preparing a list of scientific research reports with C470-0755 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)