D325-0567 Screening compound: N-(3,4-dimethylphenyl)-2-{3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-ylsulfanyl}acetamide

D325-0567 Screening compound: N-(3,4-dimethylphenyl)-2-{3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-ylsulfanyl}acetamide
D325-0567 Screening compound: N-(3,4-dimethylphenyl)-2-{3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-ylsulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D325-0567
N-(3,4-dimethylphenyl)-2-{3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-ylsulfanyl}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

D325-0567

Molecular Formula

C28H31N3O2S (C28 H31 N3 O2 S)

Compound Name

N-(3,4-dimethylphenyl)-2-{3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-ylsulfanyl}acetamide

IUPAC name

N-(34-dimethylphenyl)-2-{3-ethyl-4-oxo-46-dihydro-3H-spiro[benzo[h]quinazoline-51'-cyclopentan]-2-ylsulfanyl}acetamide

SMILES

CCN1C(SCC(Nc2cc(C)c(C)cc2)=O)=NC(c2c(CC34CCCC4)cccc2)=C3C1=O

InChI

InChI=1S/C28H31N3O2S/c1-4-31-26(33)24-25(22-10-6-5-9-20(22)16-28(24)13-7-8-14-28)30-27(31)34-17-23(32)29-21-12-11-18(2)19(3)15-21/h5-6,9-12,15H,4,7-8,13-14,16-17H2,1-3H3,(H,29,32)

InChI Key

KXGDSYPPCFILHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.943

Distribution Coefficient, logD

5.943

Water Solubility, LogSw

-5.34

Polar Surface Area

49.061

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

D325-0567 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 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:
  • Antiviral
  • Infections
  • Immune system
  • 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 D325-0567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D325-0567?
Check Price and Availability of D325-0567, 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 D325-0567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D325-0567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D325-0567
  • 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 D325-0567 available by request