F899-1632 Screening compound: 1-{[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-[(furan-2-yl)methyl]piperidine-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound F899-1632
1-{[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-[(furan-2-yl)methyl]piperidine-3-carboxamide
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
F899-1632
Molecular Formula
C22H30N4O5S (C22 H30 N4 O5 S)
Compound Name
1-{[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-[(furan-2-yl)methyl]piperidine-3-carboxamide
IUPAC name
1-{[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-[(furan-2-yl)methyl]piperidine-3-carboxamide
SMILES
O=C(C(CCC1)CN1S(c1c[nH]c(C(N2CCCCCC2)=O)c1)(=O)=O)NCc1ccco1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
462.57
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
2.038
Distribution Coefficient, logD
2.038
Water Solubility, LogSw
-2.71
Polar Surface Area
91.180
Acid Dissociation Constant (pKa)
11.76
Base Dissociation Constant (pKb)
-1.01
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
54.50
F899-1632 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Nonpeptide Peptidomimetics PPI Library (18997 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
Included in 1.7M Stock Database
- PPI modulators
- Epigenetic
- PPI modulators
- Mimetics
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Others
References: we are preparing a list of scientific research reports with F899-1632 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)