8006-3926 Screening compound: 4-methoxy-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of ChemDiv screening compound 8006-3926
4-methoxy-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
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
8006-3926
Molecular Formula
C13H15N3O2S (C13 H15 N3 O2 S)
Compound Name
4-methoxy-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
IUPAC name
4-methoxy-N-[5-(propan-2-yl)-134-thiadiazol-2-yl]benzamide
SMILES
CC(C)c1nnc(NC(c(cc2)ccc2OC)=O)s1
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
277.35
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.082
Distribution Coefficient, logD
2.587
Water Solubility, LogSw
-3.50
Polar Surface Area
54.418
Acid Dissociation Constant (pKa)
7.07
Base Dissociation Constant (pKb)
-1.80
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
30.80
8006-3926 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
Anti-infective Library (19449 compounds)
Anticancer Library (62698 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Infections
- Immune system
- animal
- Cancer
- Kinases
References: we are preparing a list of scientific research reports with 8006-3926 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)