8016-9575 Screening compound: 4-(chloromethyl)-2-(4-nitrophenyl)-1,3-thiazole
Chemical Structure Depiction of ChemDiv screening compound 8016-9575
4-(chloromethyl)-2-(4-nitrophenyl)-1,3-thiazole
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
8016-9575
Molecular Formula
C10H7ClN2O2S (C10 H7 ClN2 O2 S)
Compound Name
4-(chloromethyl)-2-(4-nitrophenyl)-1,3-thiazole
IUPAC name
4-(chloromethyl)-2-(4-nitrophenyl)-13-thiazole
SMILES
[O-][N+](c(cc1)ccc1-c1nc(CCl)cs1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
254.7
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.573
Distribution Coefficient, logD
3.573
Water Solubility, LogSw
-3.77
Polar Surface Area
43.849
Acid Dissociation Constant (pKa)
29.31
Base Dissociation Constant (pKb)
0.68
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
10.00
8016-9575 in Drug Discovery
Included in Screening Libraries
KRAS-Targeted Library (16000 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Kinases
- Epigenetic
References: we are preparing a list of scientific research reports with 8016-9575 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)