P077-0915 Screening compound: 1-(3-chloro-2-methylphenyl)-3-[2-(thiophen-3-yl)imidazo[1,2-a]pyridin-3-yl]urea
Chemical Structure Depiction of ChemDiv screening compound P077-0915
1-(3-chloro-2-methylphenyl)-3-[2-(thiophen-3-yl)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
P077-0915
Molecular Formula
C19H15ClN4OS (C19 H15 ClN4 OS)
Compound Name
1-(3-chloro-2-methylphenyl)-3-[2-(thiophen-3-yl)imidazo[1,2-a]pyridin-3-yl]urea
IUPAC name
1-(3-chloro-2-methylphenyl)-3-[2-(thiophen-3-yl)imidazo[12-a]pyridin-3-yl]urea
SMILES
Cc(c(NC(Nc1c(-c2cscc2)nc2n1cccc2)=O)ccc1)c1Cl
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
382.87
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.982
Distribution Coefficient, logD
4.982
Water Solubility, LogSw
-5.06
Polar Surface Area
41.390
Acid Dissociation Constant (pKa)
11.53
Base Dissociation Constant (pKb)
-2.01
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
5.30
P077-0915 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Immunological Library (6760 compounds)
Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)
Included in 1.7M Stock Database
- Cancer
- Immune system
- Cancer
- Digestive system
- Female
- Hemic and lymphatic
- Metabolic
- Immune system
- Others
References: we are preparing a list of scientific research reports with P077-0915 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)