S932-2736 Screening compound: 2-(3-{4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidine-1-carbonyl)pyrazine
Chemical Structure Depiction of ChemDiv screening compound S932-2736
2-(3-{4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidine-1-carbonyl)pyrazine
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
S932-2736
Molecular Formula
C16H20N6O2 (C16 H20 N6 O2)
Compound Name
2-(3-{4-[(cyclopropylmethoxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidine-1-carbonyl)pyrazine
IUPAC name
2-(3-{4-[(cyclopropylmethoxy)methyl]-1H-123-triazol-1-yl}pyrrolidine-1-carbonyl)pyrazine
SMILES
O=C(c1nccnc1)N(CC1)CC1n1nnc(COCC2CC2)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
328.37
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
0.189
Distribution Coefficient, logD
0.189
Water Solubility, LogSw
-0.76
Polar Surface Area
70.939
Acid Dissociation Constant (pKa)
24.90
Base Dissociation Constant (pKb)
3.13
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
56.25
S932-2736 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
CNS MPO Library (28609 compounds)
Protein-Protein Interaction Library (218420 compounds)
Soluble Diversity Library (15920 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- Nervous system
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with S932-2736 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)