C301-8810 Screening compound: 1-(4-ethoxyphenyl)-3-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea
Chemical Structure Depiction of ChemDiv screening compound C301-8810
1-(4-ethoxyphenyl)-3-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea
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
C301-8810
Molecular Formula
C19H20N8O4S2 (C19 H20 N8 O4 S2)
Compound Name
1-(4-ethoxyphenyl)-3-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea
IUPAC name
1-(4-ethoxyphenyl)-3-{5-[(137-trimethyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl)sulfanyl]-134-thiadiazol-2-yl}urea
SMILES
CCOc(cc1)ccc1NC(Nc1nnc(Sc2nc(N(C)C(N(C)C3=O)=O)c3n2C)s1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
488.55
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
12
Partition Coefficient, logP
4.051
Distribution Coefficient, logD
4.051
Water Solubility, LogSw
-3.96
Polar Surface Area
106.429
Acid Dissociation Constant (pKa)
10.80
Base Dissociation Constant (pKb)
3.17
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
26.30
C301-8810 in Drug Discovery
Included in Screening Libraries
C-Met Library (15277 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Endocrine
- Kinases
- Receptor's ligands
References: we are preparing a list of scientific research reports with C301-8810 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)