C277-4535 Screening compound: (6Z)-5-imino-6-[(2-methyl-1H-indol-3-yl)methylidene]-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Chemical Structure Depiction of ChemDiv screening compound C277-4535
(6Z)-5-imino-6-[(2-methyl-1H-indol-3-yl)methylidene]-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
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
C277-4535
Molecular Formula
C16H13N5OS2 (C16 H13 N5 OS2)
Compound Name
(6Z)-5-imino-6-[(2-methyl-1H-indol-3-yl)methylidene]-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
IUPAC name
(6Z)-5-imino-6-[(2-methyl-1H-indol-3-yl)methylidene]-3-(methylsulfanyl)-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one
SMILES
Cc1c(/C=C(/C(N(C(SC)=NS2)C2=N2)=N)\C2=O)c(cccc2)c2[nH]1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
355.44
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.438
Distribution Coefficient, logD
2.386
Water Solubility, LogSw
-2.73
Polar Surface Area
62.394
Acid Dissociation Constant (pKa)
18.01
Base Dissociation Constant (pKb)
6.50
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
12.50
C277-4535 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
Selective Target Activity Profiling Library (14702 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 C277-4535 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)