P077-0435 Screening compound: 1-(3,4-dimethoxyphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]urea
Chemical Structure Depiction of ChemDiv screening compound P077-0435
1-(3,4-dimethoxyphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]urea
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
P077-0435
Molecular Formula
C22H19FN4O3 (C22 H19 FN4 O3)
Compound Name
1-(3,4-dimethoxyphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]urea
IUPAC name
1-(34-dimethoxyphenyl)-3-[2-(4-fluorophenyl)imidazo[12-a]pyridin-3-yl]urea
SMILES
COc(ccc(NC(Nc1c(-c(cc2)ccc2F)nc2n1cccc2)=O)c1)c1OC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
406.42
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.900
Distribution Coefficient, logD
3.900
Water Solubility, LogSw
-4.17
Polar Surface Area
56.330
Acid Dissociation Constant (pKa)
12.95
Base Dissociation Constant (pKb)
2.62
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
9.10
P077-0435 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
Antimitotic Tubulin Library (17355 compounds)
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)
Included in 1.7M Stock Database
- Cancer
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Cancer
- Digestive system
- Female
- Hemic and lymphatic
- Metabolic
- Immune system
- PPI modulators
- Others
References: we are preparing a list of scientific research reports with P077-0435 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)