S395-1150 Screening compound: 3-benzyl-8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

S395-1150 Screening compound: 3-benzyl-8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
S395-1150 Screening compound: 3-benzyl-8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S395-1150
3-benzyl-8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-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)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S395-1150

Molecular Formula

C23H22ClN3O3 (C23 H22 ClN3 O3)

Compound Name

3-benzyl-8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

IUPAC name

3-benzyl-8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-138-triazaspiro[4.5]decane-24-dione

SMILES

O=C(/C=C/c(cc1)ccc1Cl)N(CC1)CCC1(C(N1Cc2ccccc2)=O)NC1=O

InChI

InChI=1S/C23H22ClN3O3/c24-19-9-6-17(7-10-19)8-11-20(28)26-14-12-23(13-15-26)21(29)27(22(30)25-23)16-18-4-2-1-3-5-18/h1-11H,12-16H2,(H,25,30)

InChI Key

JCKFLNFXWWDSQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28122269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.540

Distribution Coefficient, logD

3.540

Water Solubility, LogSw

-4.23

Polar Surface Area

57.766

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

S395-1150 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 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)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Cyclic compounds
  • 3D
  • Fragments
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S395-1150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S395-1150?
Check Price and Availability of S395-1150, 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 S395-1150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S395-1150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S395-1150
  • 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 S395-1150 available by request