8015-4300 Screening compound: 2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]thio}-N-[3-(trifluoromethyl)phenyl]acetamide

8015-4300 Screening compound: 2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]thio}-N-[3-(trifluoromethyl)phenyl]acetamide
8015-4300 Screening compound: 2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]thio}-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4300
2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]thio}-N-[3-(trifluoromethyl)phenyl]acetamide

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

8015-4300

Molecular Formula

C34H32F3N3O2S (C34 H32 F3 N3 O2 S)

Compound Name

2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]thio}-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[4-oxo-3-(2-phenylethyl)-46-dihydro-3H-spiro[benzo[h]quinazoline-51'-cyclohexan]-2-ylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CSC(N1CCc2ccccc2)=NC(c2c(CC34CCCCC4)cccc2)=C3C1=O)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C34H32F3N3O2S/c35-34(36,37)25-13-9-14-26(20-25)38-28(41)22-43-32-39-30-27-15-6-5-12-24(27)21-33(17-7-2-8-18-33)29(30)31(42)40(32)19-16-23-10-3-1-4-11-23/h1,3-6,9-15,20H,2,7-8,16-19,21-22H2,(H,38,41)

InChI Key

RPOFFONVIGZJQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

603.71

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.838

Distribution Coefficient, logD

7.838

Water Solubility, LogSw

-6.22

Polar Surface Area

48.677

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.35

8015-4300 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8015-4300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4300?
Check Price and Availability of 8015-4300, 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 8015-4300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4300
  • 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 8015-4300 available by request