8451-08286 Screening compound: 3-({[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of ChemDiv screening compound 8451-08286
3-({[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzonitrile
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
8451-08286
Molecular Formula
C16H10BrN3OS (C16 H10 BrN3 OS)
Compound Name
3-({[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzonitrile
IUPAC name
3-({[5-(4-bromophenyl)-134-oxadiazol-2-yl]sulfanyl}methyl)benzonitrile
SMILES
N#Cc1cccc(CSc2nnc(-c(cc3)ccc3Br)o2)c1
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
372.25
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
4.090
Distribution Coefficient, logD
4.090
Water Solubility, LogSw
-4.42
Polar Surface Area
47.120
Acid Dissociation Constant (pKa)
24.68
Base Dissociation Constant (pKb)
-3.20
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
6.30
8451-08286 in Drug Discovery
Included in Screening Libraries
Proline Kinase Library (2105 compounds)
Aurora A-B Kinases Targeted Library (9426 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Nervous system
- Male
- Female
- Endocrine
- Cancer
- Digestive system
- Male
- Female
- Hemic and lymphatic
- Kinases
- Kinases
References: we are preparing a list of scientific research reports with 8451-08286 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)