D325-0524 Screening compound: 2-[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-ylsulfanyl]-N-phenylpropanamide

D325-0524 Screening compound: 2-[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-ylsulfanyl]-N-phenylpropanamide
D325-0524 Screening compound: 2-[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-ylsulfanyl]-N-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D325-0524
2-[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-ylsulfanyl]-N-phenylpropanamide

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

D325-0524

Molecular Formula

C29H31N3O2S (C29 H31 N3 O2 S)

Compound Name

2-[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-ylsulfanyl]-N-phenylpropanamide

IUPAC name

2-[4-oxo-3-(prop-2-en-1-yl)-46-dihydro-3H-spiro[benzo[h]quinazoline-51'-cyclohexan]-2-ylsulfanyl]-N-phenylpropanamide

SMILES

CC(C(Nc1ccccc1)=O)SC(N1CC=C)=NC(c2c(CC34CCCCC4)cccc2)=C3C1=O

InChI

InChI=1S/C29H31N3O2S/c1-3-18-32-27(34)24-25(23-15-9-8-12-21(23)19-29(24)16-10-5-11-17-29)31-28(32)35-20(2)26(33)30-22-13-6-4-7-14-22/h3-4,6-9,12-15,20H,1,5,10-11,16-19H2,2H3,(H,30,33)/t20-/m0/s1

InChI Key

WATKWQKKNJBVOB-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06243760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.882

Distribution Coefficient, logD

5.882

Water Solubility, LogSw

-5.30

Polar Surface Area

49.162

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

D325-0524 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D325-0524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D325-0524?
Check Price and Availability of D325-0524, 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 D325-0524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D325-0524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D325-0524
  • 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 D325-0524 available by request