D216-0491 Screening compound: 2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one
Chemical Structure Depiction of ChemDiv screening compound D216-0491
2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-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
D216-0491
Molecular Formula
C13H15N5OS (C13 H15 N5 OS)
Compound Name
2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one
IUPAC name
2-[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]-1-(2-methyl-23-dihydro-1H-indol-1-yl)ethan-1-one
SMILES
CC(C1)N(C(CSc2nnnn2C)=O)c2c1cccc2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
289.36
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.496
Distribution Coefficient, logD
1.496
Water Solubility, LogSw
-2.09
Polar Surface Area
54.672
Acid Dissociation Constant (pKa)
18.85
Base Dissociation Constant (pKb)
-0.92
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
38.50
D216-0491 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Dark Chemical Matter Library (18430 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Pool
References: we are preparing a list of scientific research reports with D216-0491 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of D216-0491, 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)