K906-1965 Screening compound: ethyl 1-[3-(cycloheptylcarbamoyl)phenyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of ChemDiv screening compound K906-1965
ethyl 1-[3-(cycloheptylcarbamoyl)phenyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
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
K906-1965
Molecular Formula
C28H32N2O3 (C28 H32 N2 O3)
Compound Name
ethyl 1-[3-(cycloheptylcarbamoyl)phenyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
IUPAC name
ethyl 1-[3-(cycloheptylcarbamoyl)phenyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
SMILES
CCOC(c(cc1-c2ccccc2)c(C)n1-c1cccc(C(NC2CCCCCC2)=O)c1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
444.57
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
6.583
Distribution Coefficient, logD
6.583
Water Solubility, LogSw
-5.63
Polar Surface Area
46.884
Acid Dissociation Constant (pKa)
13.64
Base Dissociation Constant (pKb)
-0.59
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
35.70
K906-1965 in Drug Discovery
Included in Screening Libraries
Histone Deacetylases (HDAC) Targeted Library (9760 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cancer
- Nervous system
- Hemic and lymphatic
- Endocrine
- Immune system
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Epigenetic
- Phosphatases
References: we are preparing a list of scientific research reports with K906-1965 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)