Screening compound: MFCD01175112

Screening compound: MFCD01175112
Screening compound: MFCD01175112 alternative view

Chemical Structure Depiction of ChemDiv screening compound
MFCD01175112

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

4184-0133

Molecular Formula

C27H36N2O2S (C27 H36 N2 O2 S)

Compound Name

2-(butylsulfanyl)-3-(2,2-dimethyloxan-4-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one

IUPAC name

2-(butylsulfanyl)-3-(22-dimethyloxan-4-yl)-46-dihydro-3H-spiro[benzo[h]quinazoline-51'-cyclopentan]-4-one

SMILES

CCCCSC(N1C2CC(C)(C)OCC2)=NC(c2c(CC34CCCC4)cccc2)=C3C1=O

InChI

InChI=1S/C27H36N2O2S/c1-4-5-16-32-25-28-23-21-11-7-6-10-19(21)17-27(13-8-9-14-27)22(23)24(30)29(25)20-12-15-31-26(2,3)18-20/h6-7,10-11,20H,4-5,8-9,12-18H2,1-3H3/t20-/m0/s1

InChI Key

TWKPHXFOURVWKU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01175112

MFCD01175112 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)

Anti-HIV1 Library (19540 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with MFCD01175112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound MFCD01175112?
Check Price and Availability of MFCD01175112, 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 MFCD01175112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for MFCD01175112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for MFCD01175112
  • 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 MFCD01175112 available by request