D336-0500 Screening compound: N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-fluorobenzamide
Chemical Structure Depiction of ChemDiv screening compound D336-0500
N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-fluorobenzamide
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
D336-0500
Molecular Formula
C24H18FN3O2S2 (C24 H18 FN3 O2 S2)
Compound Name
N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-fluorobenzamide
IUPAC name
N-(2-{[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-13-benzothiazol-6-yl)-4-fluorobenzamide
SMILES
O=C(CSc1nc(ccc(NC(c(cc2)ccc2F)=O)c2)c2s1)N(CC1)c2c1cccc2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
463.56
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
5.268
Distribution Coefficient, logD
5.263
Water Solubility, LogSw
-5.57
Polar Surface Area
47.563
Acid Dissociation Constant (pKa)
9.32
Base Dissociation Constant (pKb)
1.90
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
12.50
D336-0500 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
Cardiovascular Library (22201 compounds)
Human Kinases Annotated Library (2415 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Cardiovascular
References: we are preparing a list of scientific research reports with D336-0500 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)