V007-6645 Screening compound: 3-{[(4-fluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of ChemDiv screening compound V007-6645
3-{[(4-fluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
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
V007-6645
Molecular Formula
C19H18FN3OS (C19 H18 FN3 OS)
Compound Name
3-{[(4-fluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
IUPAC name
3-{[(4-fluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-124-triazole
SMILES
COc(cc1)ccc1-c(n1CC=C)nnc1SCc(cc1)ccc1F
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
355.44
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
4.377
Distribution Coefficient, logD
4.377
Water Solubility, LogSw
-4.33
Polar Surface Area
31.763
Acid Dissociation Constant (pKa)
21.83
Base Dissociation Constant (pKb)
1.40
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
15.80
V007-6645 in Drug Discovery
Included in Screening Libraries
Anti-infective Library (19449 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
References: we are preparing a list of scientific research reports with V007-6645 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)