S395-0262 Screening compound: 3-[(2-chlorophenyl)methyl]-8-(2-methoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

Chemical Structure Depiction of ChemDiv screening compound S395-0262
3-[(2-chlorophenyl)methyl]-8-(2-methoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S395-0262

Molecular Formula

C₂₂H₂₂ClN₃O₄ (C22 H22 ClN3 O4)

Compound Name

3-[(2-chlorophenyl)methyl]-8-(2-methoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

IUPAC name

3-[(2-chlorophenyl)methyl]-8-(2-methoxybenzoyl)-138-triazaspiro[4.5]decane-24-dione

SMILES

COc(cccc1)c1C(N(CC1)CCC1(C(N1Cc(cccc2)c2Cl)=O)NC1=O)=O

InChI

InChI=1S/C22H22ClN3O4/c1-30-18-9-5-3-7-16(18)19(27)25-12-10-22(11-13-25)20(28)26(21(29)24-22)14-15-6-2-4-8-17(15)23/h2-9H,10-14H2,1H3,(H,24,29)

InChI Key

SWUWADQJQKVLJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28122065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

2.615

Distribution Coefficient, logD

2.615

Water Solubility, LogSw

-3.54

Polar Surface Area

65.924

Acid Dissociation Constant (pK_a)

12.17

Base Dissociation Constant (pK_b)

-1.46

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

31.80

S395-0262 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Bromodomain Modulators Library (5801 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Cancer
Hemic and lymphatic
Nervous system
Eye
Cancer
Endocrine
Cancer
Musculoskeletal
Female
Hemic and lymphatic
Cardiovascular

Mechanism of action:

PPI modulators
PPI modulators
PPI modulators
PPI modulators
PPI modulators
PPI modulators
PPI modulators
PPI modulators
Epigenetic
PPI modulators

Targets:

Ion Channels

Structure:

Mimetics
Mimetics
Cyclic compounds
Mimetics
Cyclic compounds
Mimetics

References: we are preparing a list of scientific research reports with S395-0262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S395-0262?
Check Price and Availability of S395-0262, 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.

What is the minimum amount of S395-0262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for S395-0262
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for S395-0262

0.5–50 mg of dry powder sample in single glass vials, custom vials
DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S395-0262 available by request