SB36-1169 Screening compound: N-benzyl-1-{[(2S)-1-(cyclopentylcarbonyl)-4,4-difluorotetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound SB36-1169
N-benzyl-1-{[(2S)-1-(cyclopentylcarbonyl)-4,4-difluorotetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-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
SB36-1169
Molecular Formula
C21H25F2N5O2 (C21 H25 F2 N5 O2)
Compound Name
N-benzyl-1-{[(2S)-1-(cyclopentylcarbonyl)-4,4-difluorotetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
IUPAC name
N-benzyl-1-{[(2S)-1-cyclopentanecarbonyl-44-difluoropyrrolidin-2-yl]methyl}-1H-123-triazole-4-carboxamide
SMILES
O=C(C1CCCC1)N(C1)[C@H](Cn2nnc(C(NCc3ccccc3)=O)c2)CC1(F)F
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
417.46
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.606
Distribution Coefficient, logD
2.606
Water Solubility, LogSw
-2.70
Polar Surface Area
68.317
Acid Dissociation Constant (pKa)
11.84
Base Dissociation Constant (pKb)
-3.28
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
52.38
SB36-1169 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with SB36-1169 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)