Screening compound: C28H27ClN2O2S (4222-0157)

Screening compound: C<sub>28</sub>H<sub>27</sub>ClN<sub>2</sub>O<sub>2</sub>S (4222-0157)
Screening compound: C<sub>28</sub>H<sub>27</sub>ClN<sub>2</sub>O<sub>2</sub>S (4222-0157) alternative view

Chemical Structure Depiction of ChemDiv screening compound
C28H27ClN2O2S (4222-0157)

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

4222-0157

Molecular Formula

C28H27ClN2O2S (C28 H27 ClN2 O2 S)

Compound Name

2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2-methylprop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one

IUPAC name

2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2-methylprop-2-en-1-yl)-46-dihydro-3H-spiro[benzo[h]quinazoline-51'-cyclopentan]-4-one

SMILES

CC(CN1C(SCC(c(cc2)ccc2Cl)=O)=NC(c2c(CC34CCCC4)cccc2)=C3C1=O)=C

InChI

InChI=1S/C28H27ClN2O2S/c1-18(2)16-31-26(33)24-25(22-8-4-3-7-20(22)15-28(24)13-5-6-14-28)30-27(31)34-17-23(32)19-9-11-21(29)12-10-19/h3-4,7-12H,1,5-6,13-17H2,2H3

InChI Key

YGDKPWQGLYHPBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01557914

C28H27ClN2O2S (4222-0157) in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C28H27ClN2O2S (4222-0157) chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C28H27ClN2O2S (4222-0157)?
Check Price and Availability of C28H27ClN2O2S (4222-0157), 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 C28H27ClN2O2S (4222-0157) you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C28H27ClN2O2S (4222-0157)
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C28H27ClN2O2S (4222-0157)
  • 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 C28H27ClN2O2S (4222-0157) available by request