C248-0334 Screening compound: N-[2,4-dioxo-3-(2-phenylethyl)-1H,2H,3H,4H-benzo[g]pteridin-8-yl]propanamide
Chemical Structure Depiction of ChemDiv screening compound C248-0334
N-[2,4-dioxo-3-(2-phenylethyl)-1H,2H,3H,4H-benzo[g]pteridin-8-yl]propanamide
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
C248-0334
Molecular Formula
C21H19N5O3 (C21 H19 N5 O3)
Compound Name
N-[2,4-dioxo-3-(2-phenylethyl)-1H,2H,3H,4H-benzo[g]pteridin-8-yl]propanamide
IUPAC name
N-[24-dioxo-3-(2-phenylethyl)-1H2H3H4H-benzo[g]pteridin-8-yl]propanamide
SMILES
CCC(Nc(cc1nc2NC(N3CCc4ccccc4)=O)ccc1nc2C3=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
389.41
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.036
Distribution Coefficient, logD
2.943
Water Solubility, LogSw
-3.38
Polar Surface Area
81.978
Acid Dissociation Constant (pKa)
8.02
Base Dissociation Constant (pKb)
1.45
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
19.00
C248-0334 in Drug Discovery
Included in Screening Libraries
Anti-Aging Library (44940 compounds)
Anticancer Library (62698 compounds)
C-Met Library (15277 compounds)
Immunological Library (6760 compounds)
PD-1/L1 Library (498 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Cancer
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Endocrine
- Immune system
- Cancer
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Immune system
- Epigenetic
- Receptor's ligands
- Kinases
- Others
References: we are preparing a list of scientific research reports with C248-0334 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)