D325-0704 Screening compound: 2-{4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-ylsulfanyl}-N,N-dipropylacetamide

D325-0704 Screening compound: 2-{4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-ylsulfanyl}-N,N-dipropylacetamide
D325-0704 Screening compound: 2-{4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-ylsulfanyl}-N,N-dipropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D325-0704
2-{4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-ylsulfanyl}-N,N-dipropylacetamide

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

D325-0704

Molecular Formula

C27H37N3O2S (C27 H37 N3 O2 S)

Compound Name

2-{4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-ylsulfanyl}-N,N-dipropylacetamide

IUPAC name

2-{4-oxo-3-propyl-46-dihydro-3H-spiro[benzo[h]quinazoline-51'-cyclopentan]-2-ylsulfanyl}-NN-dipropylacetamide

SMILES

CCCN(CCC)C(CSC(N1CCC)=NC(c2c(CC34CCCC4)cccc2)=C3C1=O)=O

InChI

InChI=1S/C27H37N3O2S/c1-4-15-29(16-5-2)22(31)19-33-26-28-24-21-12-8-7-11-20(21)18-27(13-9-10-14-27)23(24)25(32)30(26)17-6-3/h7-8,11-12H,4-6,9-10,13-19H2,1-3H3

InChI Key

JGJCJGZRMMRPKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.486

Distribution Coefficient, logD

5.486

Water Solubility, LogSw

-5.29

Polar Surface Area

42.349

Acid Dissociation Constant (pKa)

22.99

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.30

D325-0704 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)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D325-0704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D325-0704?
Check Price and Availability of D325-0704, 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 D325-0704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D325-0704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D325-0704
  • 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 D325-0704 available by request