D325-0702 Screening compound: 2-{4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-ylsulfanyl}-N-phenylacetamide

D325-0702 Screening compound: 2-{4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-ylsulfanyl}-N-phenylacetamide
D325-0702 Screening compound: 2-{4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-ylsulfanyl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D325-0702
2-{4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-ylsulfanyl}-N-phenylacetamide

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

D325-0702

Molecular Formula

C27H29N3O2S (C27 H29 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCN1C(SCC(Nc2ccccc2)=O)=NC(c2c(CC34CCCC4)cccc2)=C3C1=O

InChI

InChI=1S/C27H29N3O2S/c1-2-16-30-25(32)23-24(21-13-7-6-10-19(21)17-27(23)14-8-9-15-27)29-26(30)33-18-22(31)28-20-11-4-3-5-12-20/h3-7,10-13H,2,8-9,14-18H2,1H3,(H,28,31)

InChI Key

BIOOBIYSMMYRLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.61

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

5.253

Distribution Coefficient, logD

5.253

Water Solubility, LogSw

-4.95

Polar Surface Area

49.314

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with D325-0702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D325-0702?
Check Price and Availability of D325-0702, 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 D325-0702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D325-0702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D325-0702
  • 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 D325-0702 available by request