S624-0065 Screening compound: 3-(2-oxo-2-{2',3',4',9'-tetrahydrospiro[piperidine-4,1'-pyrido[3,4-b]indol]-1-yl}ethyl)-2,3-dihydro-1,3-benzoxazol-2-one
Chemical Structure Depiction of ChemDiv screening compound S624-0065
3-(2-oxo-2-{2',3',4',9'-tetrahydrospiro[piperidine-4,1'-pyrido[3,4-b]indol]-1-yl}ethyl)-2,3-dihydro-1,3-benzoxazol-2-one
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
S624-0065
Molecular Formula
C24H24N4O3 (C24 H24 N4 O3)
Compound Name
3-(2-oxo-2-{2',3',4',9'-tetrahydrospiro[piperidine-4,1'-pyrido[3,4-b]indol]-1-yl}ethyl)-2,3-dihydro-1,3-benzoxazol-2-one
IUPAC name
3-(2-oxo-2-{2'3'4'9'-tetrahydrospiro[piperidine-41'-pyrido[34-b]indol]-1-yl}ethyl)-23-dihydro-13-benzoxazol-2-one
SMILES
O=C(CN(c(cccc1)c1O1)C1=O)N(CC1)CCC11NCCc2c1[nH]c1c2cccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
416.48
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.967
Distribution Coefficient, logD
-0.049
Water Solubility, LogSw
-2.61
Polar Surface Area
61.676
Acid Dissociation Constant (pKa)
18.67
Base Dissociation Constant (pKb)
9.41
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
33.33
S624-0065 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Anti-infective Library (19449 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
DGK Inhibitors Library (10558 compounds)
Natural-Product-Based Library (3730 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
New Agro Library (44492 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Cancer
- Digestive system
- Hemic and lymphatic
- Skin
- Metabolic
- Immune system
- Kinases
- Pool
- Mimetics
- Mimetics
- Cyclic compounds
- Cyclic compounds
- Mimetics
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Agro
References: we are preparing a list of scientific research reports with S624-0065 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of S624-0065, 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)