8018-2028 Screening compound: 4-[4-(allyloxy)phenyl]-2-amino-5-oxo-5H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-3-yl cyanide
Chemical Structure Depiction of ChemDiv screening compound 8018-2028
4-[4-(allyloxy)phenyl]-2-amino-5-oxo-5H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-3-yl cyanide
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
8018-2028
Molecular Formula
C19H13N5O2S (C19 H13 N5 O2 S)
Compound Name
4-[4-(allyloxy)phenyl]-2-amino-5-oxo-5H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-3-yl cyanide
IUPAC name
12-amino-8-oxo-10-[4-(prop-2-en-1-yloxy)phenyl]-5-thia-2713-triazatricyclo[7.4.0.0^{26}]trideca-1(9)361012-pentaene-11-carbonitrile
SMILES
C=CCOc(cc1)ccc1-c(c(C(N=C1SC=CN11)=O)c1nc1N)c1C#N
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
375.41
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.438
Distribution Coefficient, logD
2.438
Water Solubility, LogSw
-2.72
Polar Surface Area
79.989
Acid Dissociation Constant (pKa)
16.68
Base Dissociation Constant (pKb)
2.11
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
5.30
8018-2028 in Drug Discovery
Included in Screening Libraries
Antimitotic Tubulin Library (17355 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
C-Met Library (15277 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Endocrine
- Kinases
- Receptor's ligands
References: we are preparing a list of scientific research reports with 8018-2028 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)