4896-3719 Screening compound: 5-CHLORO-3'-[(2-FLUOROBENZYL)THIO]-7'H-SPIRO[INDOLE-3,6'-[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN]-2(1H)-ONE
Chemical Structure Depiction of ChemDiv screening compound 4896-3719
5-CHLORO-3'-[(2-FLUOROBENZYL)THIO]-7'H-SPIRO[INDOLE-3,6'-[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN]-2(1H)-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
4896-3719
Molecular Formula
C24H15ClFN5O2S (C24 H15 ClFN5 O2 S)
Compound Name
5-CHLORO-3'-[(2-FLUOROBENZYL)THIO]-7'H-SPIRO[INDOLE-3,6'-[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN]-2(1H)-ONE
IUPAC name
n/a
SMILES
O=C(C12Oc3nc(SCc(cccc4)c4F)nnc3-c(cccc3)c3N1)Nc(cc1)c2cc1Cl
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
491.93
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
5.529
Distribution Coefficient, logD
5.528
Water Solubility, LogSw
-5.94
Polar Surface Area
77.732
Acid Dissociation Constant (pKa)
9.96
Base Dissociation Constant (pKb)
-0.54
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
8.30
4896-3719 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Allosteric Kinases Inhibitors Library (23117 compounds)
Anti-infective Library (19449 compounds)
Antiviral HBV Library (10007 compounds)
Antiviral Library (67538 compounds)
Human Proteases Annotated Library (2868 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Protein-Protein Interaction Library (218420 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Recognition Elements PPI Library (24135 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Mimetics
- Cancer
- Female
- Congenital
- Skin
- Infections
- Immune system
- animal
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Kinases
- Others
- Epigenetic
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with 4896-3719 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of 4896-3719, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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)