D325-0582 Screening compound: 2-(benzylsulfanyl)-4-(morpholin-4-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclohexane]

D325-0582 Screening compound: 2-(benzylsulfanyl)-4-(morpholin-4-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclohexane]
D325-0582 Screening compound: 2-(benzylsulfanyl)-4-(morpholin-4-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclohexane] alternative view

Chemical Structure Depiction of ChemDiv screening compound D325-0582
2-(benzylsulfanyl)-4-(morpholin-4-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclohexane]

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

D325-0582

Molecular Formula

C28H31N3OS (C28 H31 N3 OS)

Compound Name

2-(benzylsulfanyl)-4-(morpholin-4-yl)-6H-spiro[benzo[h]quinazoline-5,1'-cyclohexane]

IUPAC name

2-(benzylsulfanyl)-4-(morpholin-4-yl)-6H-spiro[benzo[h]quinazoline-51'-cyclohexane]

SMILES

C(c1ccccc1)Sc1nc(N2CCOCC2)c(C2(CCCCC2)Cc2c-3cccc2)c3n1

InChI

InChI=1S/C28H31N3OS/c1-3-9-21(10-4-1)20-33-27-29-25-23-12-6-5-11-22(23)19-28(13-7-2-8-14-28)24(25)26(30-27)31-15-17-32-18-16-31/h1,3-6,9-12H,2,7-8,13-20H2

InChI Key

QAGQDBYSSPDTAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04178568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.424

Distribution Coefficient, logD

6.424

Water Solubility, LogSw

-6.06

Polar Surface Area

28.985

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

D325-0582 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D325-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D325-0582?
Check Price and Availability of D325-0582, 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 D325-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D325-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D325-0582
  • 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 D325-0582 available by request