SB21-1156 Screening compound: [1-({(2S,4S)-4-fluoro-1-[(3-fluorophenyl)sulfonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazol-4-yl](1-pyrrolidinyl)methanone
Chemical Structure Depiction of ChemDiv screening compound SB21-1156
[1-({(2S,4S)-4-fluoro-1-[(3-fluorophenyl)sulfonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazol-4-yl](1-pyrrolidinyl)methanone
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
SB21-1156
Molecular Formula
C18H21F2N5O3S (C18 H21 F2 N5 O3 S)
Compound Name
[1-({(2S,4S)-4-fluoro-1-[(3-fluorophenyl)sulfonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazol-4-yl](1-pyrrolidinyl)methanone
IUPAC name
1-{[(2S4S)-4-fluoro-1-(3-fluorobenzenesulfonyl)pyrrolidin-2-yl]methyl}-4-(pyrrolidine-1-carbonyl)-1H-123-triazole
SMILES
O=C(c1cn(C[C@H](C[C@@H](C2)F)N2S(c2cc(F)ccc2)(=O)=O)nn1)N1CCCC1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
425.46
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
1.564
Distribution Coefficient, logD
1.564
Water Solubility, LogSw
-2.25
Polar Surface Area
76.199
Acid Dissociation Constant (pKa)
24.99
Base Dissociation Constant (pKb)
-2.37
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
50.00
SB21-1156 in Drug Discovery
Included in Screening Libraries
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with SB21-1156 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)