F736-0691 Screening compound: 5-({[(1-benzylpiperidin-4-yl)carbamoyl]methyl}sulfanyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound F736-0691
5-({[(1-benzylpiperidin-4-yl)carbamoyl]methyl}sulfanyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
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
F736-0691
Molecular Formula
C23H24FN5O2S2 (C23 H24 FN5 O2 S2)
Compound Name
5-({[(1-benzylpiperidin-4-yl)carbamoyl]methyl}sulfanyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
IUPAC name
5-({[(1-benzylpiperidin-4-yl)carbamoyl]methyl}sulfanyl)-N-(4-fluorophenyl)-134-thiadiazole-2-carboxamide
SMILES
O=C(CSc1nnc(C(Nc(cc2)ccc2F)=O)s1)NC1CCN(Cc2ccccc2)CC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
485.61
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.302
Distribution Coefficient, logD
1.744
Water Solubility, LogSw
-3.56
Polar Surface Area
73.660
Acid Dissociation Constant (pKa)
10.14
Base Dissociation Constant (pKb)
8.95
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
30.40
F736-0691 in Drug Discovery
Included in Screening Libraries
Anti-HIV1 Library (19540 compounds)
Included in 1.7M Stock Database
- Nervous system
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with F736-0691 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)