8017-7619 Screening compound: (5S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 3-iodobenzoate
Chemical Structure Depiction of ChemDiv screening compound 8017-7619
(5S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 3-iodobenzoate
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
8017-7619
Molecular Formula
C28H35IO3 (C28 H35 IO3)
Compound Name
(5S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 3-iodobenzoate
IUPAC name
(5aS)-1-acetyl-9a11a-dimethyl-3H3aH3bH4H5H5aH6H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-7-yl 3-iodobenzoate
SMILES
CC1(CC2)C(C(C)=O)=CCC1C(CC1)C2C(C)(CC2)C1CC2OC(c1cccc(I)c1)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
546.49
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
6.845
Distribution Coefficient, logD
6.845
Water Solubility, LogSw
-5.87
Polar Surface Area
34.277
Acid Dissociation Constant (pKa)
23.13
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
7.00
Percent sp3 carbon bonding
64.29
8017-7619 in Drug Discovery
Included in Screening Libraries
3CLpro Library (4801 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CORONAVIRUS Library (20774 compounds)
Regenerative Medicine Focused Library (23016 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Phosphatases
References: we are preparing a list of scientific research reports with 8017-7619 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)