8019-8191 Screening compound: 4-{4-[(4-bromobenzenesulfonyl)methyl]phenyl}-1,2,3-thiadiazole
Chemical Structure Depiction of ChemDiv screening compound 8019-8191
4-{4-[(4-bromobenzenesulfonyl)methyl]phenyl}-1,2,3-thiadiazole
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
8019-8191
Molecular Formula
C15H11BrN2O2S2 (C15 H11 BrN2 O2 S2)
Compound Name
4-{4-[(4-bromobenzenesulfonyl)methyl]phenyl}-1,2,3-thiadiazole
IUPAC name
4-{4-[(4-bromobenzenesulfonyl)methyl]phenyl}-123-thiadiazole
SMILES
O=S(Cc(cc1)ccc1-c1csnn1)(c(cc1)ccc1Br)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
395.3
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.736
Distribution Coefficient, logD
3.736
Water Solubility, LogSw
-4.17
Polar Surface Area
50.337
Acid Dissociation Constant (pKa)
19.28
Base Dissociation Constant (pKb)
-2.79
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
6.67
8019-8191 in Drug Discovery
Included in Screening Libraries
Angiogenesis library (14822 compounds)
Anti-infective Library (19449 compounds)
Antiparasite Library (23996 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
New Agro Library (44492 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cancer
- Infections
- Immune system
- animal
- Infections
- Immune system
- animal
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Agro
- Agro
- Phosphatases
References: we are preparing a list of scientific research reports with 8019-8191 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)