T834-0944 Screening compound: 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-propyl-4H,5H-pyrazolo[1,5-a]quinoxalin-4-one
Chemical Structure Depiction of ChemDiv screening compound T834-0944
2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-propyl-4H,5H-pyrazolo[1,5-a]quinoxalin-4-one
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
T834-0944
Molecular Formula
C25H27N5O3 (C25 H27 N5 O3)
Compound Name
2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-propyl-4H,5H-pyrazolo[1,5-a]quinoxalin-4-one
IUPAC name
2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-propyl-4H5H-pyrazolo[15-a]quinoxalin-4-one
SMILES
CCCN(c(cccc1)c1-n(c1c2)nc2C(N(CC2)CCN2c(cc2)ccc2OC)=O)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
445.52
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.578
Distribution Coefficient, logD
3.578
Water Solubility, LogSw
-3.77
Polar Surface Area
55.407
Acid Dissociation Constant (pKa)
27.24
Base Dissociation Constant (pKb)
3.51
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
32.00
T834-0944 in Drug Discovery
Included in Screening Libraries
Antimitotic Tubulin Library (17355 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
SmartTM Library (51161 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 T834-0944 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)