D021-0233 Screening compound: 8-METHYL-2,5-DIOXO-1-(1,3-THIAZOL-2-YL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-3-YL CYANIDE
Chemical Structure Depiction of ChemDiv screening compound D021-0233
8-METHYL-2,5-DIOXO-1-(1,3-THIAZOL-2-YL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]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
D021-0233
Molecular Formula
C16H9N5O2S (C16 H9 N5 O2 S)
Compound Name
8-METHYL-2,5-DIOXO-1-(1,3-THIAZOL-2-YL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-3-YL CYANIDE
IUPAC name
13-methyl-26-dioxo-7-(13-thiazol-2-yl)-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carbonitrile
SMILES
CC(C=CC1=NC(N(c2nccs2)C2=O)=C3C=C2C#N)=CN1C3=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
335.35
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.050
Distribution Coefficient, logD
1.049
Water Solubility, LogSw
-1.53
Polar Surface Area
67.790
Acid Dissociation Constant (pKa)
36.90
Base Dissociation Constant (pKb)
4.68
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
6.30
D021-0233 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Human GPCR Annotated Library (5539 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with D021-0233 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)