F794-0124 Screening compound: N-(4-chlorophenyl)-5-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound F794-0124
N-(4-chlorophenyl)-5-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-2-yl}-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
F794-0124
Molecular Formula
C17H17ClN6O3S2 (C17 H17 ClN6 O3 S2)
Compound Name
N-(4-chlorophenyl)-5-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide
IUPAC name
N-(4-chlorophenyl)-5-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-2-yl}-134-thiadiazole-2-carboxamide
SMILES
Cn1cnc(S(N(CCC2)C2c2nnc(C(Nc(cc3)ccc3Cl)=O)s2)(=O)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
452.95
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
1.770
Distribution Coefficient, logD
1.766
Water Solubility, LogSw
-2.85
Polar Surface Area
91.521
Acid Dissociation Constant (pKa)
9.45
Base Dissociation Constant (pKb)
0.40
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
29.40
F794-0124 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Angiogenesis library (14822 compounds)
Antiviral Library (67538 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Included in 1.7M Stock Database
- Cancer
- Antiviral
- Infections
- Immune system
- Cancer
- PPI modulators
References: we are preparing a list of scientific research reports with F794-0124 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)