G952-3347 Screening compound: N-{3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-2,2-diphenylacetamide
Chemical Structure Depiction of ChemDiv screening compound G952-3347
N-{3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-2,2-diphenylacetamide
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
G952-3347
Molecular Formula
C23H23N5OS (C23 H23 N5 OS)
Compound Name
N-{3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-2,2-diphenylacetamide
IUPAC name
N-{3-cyclohexyl-[124]triazolo[34-b][134]thiadiazol-6-yl}-22-diphenylacetamide
SMILES
O=C(C(c1ccccc1)c1ccccc1)Nc(s1)nn2c1nnc2C1CCCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
417.53
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
5.155
Distribution Coefficient, logD
4.818
Water Solubility, LogSw
-5.22
Polar Surface Area
57.046
Acid Dissociation Constant (pKa)
7.33
Base Dissociation Constant (pKb)
0.82
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
30.40
G952-3347 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
DGK Inhibitors Library (10558 compounds)
Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Hemic and lymphatic
- Skin
- Metabolic
- Immune system
- Cancer
- Digestive system
- Female
- Hemic and lymphatic
- Metabolic
- Immune system
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Kinases
- Others
- Phosphatases
References: we are preparing a list of scientific research reports with G952-3347 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)