L083-1176 Screening compound: 5-({4-[(butan-2-yl)carbamoyl]phenoxy}methyl)-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound L083-1176
5-({4-[(butan-2-yl)carbamoyl]phenoxy}methyl)-N-(2,4-difluorophenyl)-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
L083-1176
Molecular Formula
C21H20F2N4O3S (C21 H20 F2 N4 O3 S)
Compound Name
5-({4-[(butan-2-yl)carbamoyl]phenoxy}methyl)-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
IUPAC name
5-({4-[(butan-2-yl)carbamoyl]phenoxy}methyl)-N-(24-difluorophenyl)-134-thiadiazole-2-carboxamide
SMILES
CCC(C)NC(c(cc1)ccc1OCc1nnc(C(Nc(ccc(F)c2)c2F)=O)s1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
446.48
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.170
Distribution Coefficient, logD
3.000
Water Solubility, LogSw
-3.53
Polar Surface Area
77.985
Acid Dissociation Constant (pKa)
7.72
Base Dissociation Constant (pKb)
-1.21
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
23.80
L083-1176 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Agro
References: we are preparing a list of scientific research reports with L083-1176 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)