P681-0445 Screening compound: 3-({5-methoxy-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-1'-yl}sulfonyl)benzonitrile
Chemical Structure Depiction of ChemDiv screening compound P681-0445
3-({5-methoxy-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-1'-yl}sulfonyl)benzonitrile
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
P681-0445
Molecular Formula
C20H19N3O4S (C20 H19 N3 O4 S)
Compound Name
3-({5-methoxy-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-1'-yl}sulfonyl)benzonitrile
IUPAC name
3-({5-methoxy-1-methyl-2-oxo-12-dihydrospiro[indole-33'-pyrrolidin]-1'-yl}sulfonyl)benzonitrile
SMILES
CN(C(C1(CC2)CN2S(c2cc(C#N)ccc2)(=O)=O)=O)c(cc2)c1cc2OC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
397.45
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.142
Distribution Coefficient, logD
2.142
Water Solubility, LogSw
-3.06
Polar Surface Area
72.083
Acid Dissociation Constant (pKa)
25.13
Base Dissociation Constant (pKb)
-1.41
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
30.00
P681-0445 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
CNS MPO Library (28609 compounds)
Hsp90-Targeted Library (11355 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
Protein-Protein Interaction Library (218420 compounds)
RAR (Nuclear receptors) Ligands Library (6524 compounds)
SmartTM Library (51161 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Nervous system
- Cancer
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Immune system
- Hemic and lymphatic
- Cardiovascular
- Cancer
- Respiratory tract
- Eye
- Male
- Female
- Hemic and lymphatic
- Congenital
- Skin
- Endocrine
- Immune system
- Cancer
- PPI modulators
- Receptor's ligands
- PPI modulators
- PPI modulators
- PPI modulators
- Nuclear receptors
- Cyclic compounds
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with P681-0445 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of P681-0445, 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)