V002-6776 Screening compound: ethyl 1-[(3-fluorophenyl)methyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole-5-carboxylate
Chemical Structure Depiction of ChemDiv screening compound V002-6776
ethyl 1-[(3-fluorophenyl)methyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole-5-carboxylate
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
V002-6776
Molecular Formula
C24H20F2N2O2S (C24 H20 F2 N2 O2 S)
Compound Name
ethyl 1-[(3-fluorophenyl)methyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole-5-carboxylate
IUPAC name
ethyl 1-[(3-fluorophenyl)methyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}-1H-13-benzodiazole-5-carboxylate
SMILES
CCOC(c(cc1)cc2c1n(Cc1cc(F)ccc1)c(SCc(cccc1)c1F)n2)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
438.5
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
6.791
Distribution Coefficient, logD
6.789
Water Solubility, LogSw
-5.74
Polar Surface Area
31.231
Acid Dissociation Constant (pKa)
22.58
Base Dissociation Constant (pKb)
5.10
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
16.70
V002-6776 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with V002-6776 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)