Z301-0243 Screening compound: 2,2,2-trifluoro-1-{4-[1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of ChemDiv screening compound Z301-0243
2,2,2-trifluoro-1-{4-[1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepan-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
Z301-0243
Molecular Formula
C18H17F4N5OS (C18 H17 F4 N5 OS)
Compound Name
2,2,2-trifluoro-1-{4-[1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
IUPAC name
222-trifluoro-1-{4-[1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[34-d][13]thiazol-5-yl]-14-diazepan-1-yl}ethan-1-one
SMILES
Cc(c1c2nc(N(CCC3)CCN3C(C(F)(F)F)=O)s1)nn2-c(cc1)ccc1F
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
427.43
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.639
Distribution Coefficient, logD
3.639
Water Solubility, LogSw
-3.81
Polar Surface Area
45.350
Acid Dissociation Constant (pKa)
23.34
Base Dissociation Constant (pKb)
0.04
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
38.90
Z301-0243 in Drug Discovery
Included in Screening Libraries
Hsp90-Targeted Library (11355 compounds)
Protein-Protein Interaction Library (218420 compounds)
New Agro Library (44492 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Immune system
- PPI modulators
- PPI modulators
- Agro
- Mimetics
References: we are preparing a list of scientific research reports with Z301-0243 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)