8015-4908 Screening compound: 3-(3-methoxyphenyl)-2-(propan-2-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one

8015-4908 Screening compound: 3-(3-methoxyphenyl)-2-(propan-2-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one
8015-4908 Screening compound: 3-(3-methoxyphenyl)-2-(propan-2-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4908
3-(3-methoxyphenyl)-2-(propan-2-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one

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

8015-4908

Molecular Formula

C26H28N2O2S (C26 H28 N2 O2 S)

Compound Name

3-(3-methoxyphenyl)-2-(propan-2-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one

IUPAC name

3-(3-methoxyphenyl)-2-(propan-2-ylsulfanyl)-46-dihydro-3H-spiro[benzo[h]quinazoline-51'-cyclopentan]-4-one

SMILES

CC(C)SC(N1c2cc(OC)ccc2)=NC(c2c(CC34CCCC4)cccc2)=C3C1=O

InChI

InChI=1S/C26H28N2O2S/c1-17(2)31-25-27-23-21-12-5-4-9-18(21)16-26(13-6-7-14-26)22(23)24(29)28(25)19-10-8-11-20(15-19)30-3/h4-5,8-12,15,17H,6-7,13-14,16H2,1-3H3

InChI Key

PADDORSABPFZPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03295897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.917

Distribution Coefficient, logD

5.905

Water Solubility, LogSw

-5.48

Polar Surface Area

33.119

Acid Dissociation Constant (pKa)

22.99

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

8015-4908 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 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

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8015-4908 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4908?
Check Price and Availability of 8015-4908, 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 8015-4908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4908
  • 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 8015-4908 available by request