S635-2692 Screening compound: 2-(3-fluorophenyl)-1-[4-(hydroxymethyl)-2-(2-pyrimidinyl)-2,8-diazaspiro[4.5]dec-8-yl]-1-ethanone
Chemical Structure Depiction of ChemDiv screening compound S635-2692
2-(3-fluorophenyl)-1-[4-(hydroxymethyl)-2-(2-pyrimidinyl)-2,8-diazaspiro[4.5]dec-8-yl]-1-ethanone
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
S635-2692
Molecular Formula
C21H25FN4O2 (C21 H25 FN4 O2)
Compound Name
2-(3-fluorophenyl)-1-[4-(hydroxymethyl)-2-(2-pyrimidinyl)-2,8-diazaspiro[4.5]dec-8-yl]-1-ethanone
IUPAC name
2-(3-fluorophenyl)-1-[4-(hydroxymethyl)-2-(pyrimidin-2-yl)-28-diazaspiro[4.5]decan-8-yl]ethan-1-one
SMILES
OCC(CN(C1)c2ncccn2)C1(CC1)CCN1C(Cc1cccc(F)c1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
384.45
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.174
Distribution Coefficient, logD
2.174
Water Solubility, LogSw
-2.38
Polar Surface Area
55.251
Acid Dissociation Constant (pKa)
15.87
Base Dissociation Constant (pKb)
10.68
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
47.62
S635-2692 in Drug Discovery
Included in Screening Libraries
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with S635-2692 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)