C351-0001 Screening compound: 2-[1-(2,5-dimethylbenzyl)-1H-pyrrol-2-yl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole
Chemical Structure Depiction of ChemDiv screening compound C351-0001
2-[1-(2,5-dimethylbenzyl)-1H-pyrrol-2-yl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole
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
C351-0001
Molecular Formula
C18H22N2O (C18 H22 N2 O)
Compound Name
2-[1-(2,5-dimethylbenzyl)-1H-pyrrol-2-yl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole
IUPAC name
2-{1-[(25-dimethylphenyl)methyl]-1H-pyrrol-2-yl}-44-dimethyl-45-dihydro-13-oxazole
SMILES
CC1(C)N=C(c2cccn2Cc2c(C)ccc(C)c2)OC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
282.39
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
4.477
Distribution Coefficient, logD
4.477
Water Solubility, LogSw
-4.33
Polar Surface Area
19.704
Acid Dissociation Constant (pKa)
26.44
Base Dissociation Constant (pKb)
2.58
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
38.89
C351-0001 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Akt-Targeted Library (14764 compounds)
Included in 1.7M Stock Database
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Kinases
References: we are preparing a list of scientific research reports with C351-0001 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)