2613-0012 Screening compound: 1,1-diphenyl-5-(3-phenylpyrrolidin-1-yl)pent-3-yn-1-ol
Chemical Structure Depiction of ChemDiv screening compound 2613-0012
1,1-diphenyl-5-(3-phenylpyrrolidin-1-yl)pent-3-yn-1-ol
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
2613-0012
Molecular Formula
C27H27NO (C27 H27 NO)
Compound Name
1,1-diphenyl-5-(3-phenylpyrrolidin-1-yl)pent-3-yn-1-ol
IUPAC name
11-diphenyl-5-(3-phenylpyrrolidin-1-yl)pent-3-yn-1-ol
SMILES
OC(CC#CCN(CC1)CC1c1ccccc1)(c1ccccc1)c1ccccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
381.52
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
5.171
Distribution Coefficient, logD
4.971
Water Solubility, LogSw
-5.25
Polar Surface Area
19.241
Acid Dissociation Constant (pKa)
13.82
Base Dissociation Constant (pKb)
7.17
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
25.90
2613-0012 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Akt-Targeted Library (14764 compounds)
Covalent Inhibitors Library (7986 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Kinases
- Cyclic compounds
- 3D
- Fragments
- Agro
References: we are preparing a list of scientific research reports with 2613-0012 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)