SB21-1167 Screening compound: 3-cyclopentyl-1-((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-1-propanone
Chemical Structure Depiction of ChemDiv screening compound SB21-1167
3-cyclopentyl-1-((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-1-propanone
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
SB21-1167
Molecular Formula
C20H30FN5O2 (C20 H30 FN5 O2)
Compound Name
3-cyclopentyl-1-((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-1-propanone
IUPAC name
3-cyclopentyl-1-[(2S4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-123-triazol-1-yl]methyl}pyrrolidin-1-yl]propan-1-one
SMILES
O=C(CCC1CCCC1)N(C1)[C@H](Cn2nnc(C(N3CCCC3)=O)c2)C[C@@H]1F
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
391.49
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.991
Distribution Coefficient, logD
1.991
Water Solubility, LogSw
-1.92
Polar Surface Area
60.391
Acid Dissociation Constant (pKa)
24.73
Base Dissociation Constant (pKb)
-2.36
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
80.00
SB21-1167 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with SB21-1167 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of SB21-1167, 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)