E530-0015 Screening compound: (2'S,3S,7a'R)-2'-[(4-phenylpiperazin-1-yl)carbonyl]-1',2',5',6',7',7a'-hexahydrospiro[indole-3,3'-pyrrolizin]-2(1H)-one
Chemical Structure Depiction of ChemDiv screening compound E530-0015
(2'S,3S,7a'R)-2'-[(4-phenylpiperazin-1-yl)carbonyl]-1',2',5',6',7',7a'-hexahydrospiro[indole-3,3'-pyrrolizin]-2(1H)-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
E530-0015
Molecular Formula
C25H28N4O2 (C25 H28 N4 O2)
Compound Name
(2'S,3S,7a'R)-2'-[(4-phenylpiperazin-1-yl)carbonyl]-1',2',5',6',7',7a'-hexahydrospiro[indole-3,3'-pyrrolizin]-2(1H)-one
IUPAC name
(2'S3S7'aR)-2'-(4-phenylpiperazine-1-carbonyl)-11'22'5'6'7'7'a-octahydrospiro[indole-33'-pyrrolizin]-2-one
SMILES
O=C([C@@H]1[C@](c(cccc2)c2N2)(C2=O)N(CCC2)[C@H]2C1)N(CC1)CCN1c1ccccc1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
416.52
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.036
Distribution Coefficient, logD
3.035
Water Solubility, LogSw
-3.62
Polar Surface Area
48.686
Acid Dissociation Constant (pKa)
11.49
Base Dissociation Constant (pKb)
4.89
Number of Chiral Centers
3.00
Percent sp3 carbon bonding
44.00
E530-0015 in Drug Discovery
Included in Screening Libraries
Anti-infective Library (19449 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
Protein-Protein Interaction Library (218420 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Antiviral
- Infections
- Immune system
- Hemic and lymphatic
- Cardiovascular
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- PPI modulators
- PPI modulators
- Proteases
- Cyclic compounds
- Cyclic compounds
References: we are preparing a list of scientific research reports with E530-0015 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of E530-0015, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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)