6049-1429 Screening compound: 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(5-methylfuran-2-yl)quinoline
Chemical Structure Depiction of ChemDiv screening compound 6049-1429
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(5-methylfuran-2-yl)quinoline
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
6049-1429
Molecular Formula
C27H27N3O2 (C27 H27 N3 O2)
Compound Name
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(5-methylfuran-2-yl)quinoline
IUPAC name
4-[4-(23-dimethylphenyl)piperazine-1-carbonyl]-2-(5-methylfuran-2-yl)quinoline
SMILES
Cc1ccc(-c2nc3ccccc3c(C(N(CC3)CCN3c3c(C)c(C)ccc3)=O)c2)o1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
425.53
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
6.022
Distribution Coefficient, logD
6.022
Water Solubility, LogSw
-5.71
Polar Surface Area
35.998
Acid Dissociation Constant (pKa)
28.27
Base Dissociation Constant (pKb)
3.09
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
25.90
6049-1429 in Drug Discovery
Included in Screening Libraries
Antimitotic Tubulin Library (17355 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
References: we are preparing a list of scientific research reports with 6049-1429 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)