D325-0594 Screening compound: 2-[(2-hydroxyethyl)sulfanyl]-3-(3-methylphenyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one

D325-0594 Screening compound: 2-[(2-hydroxyethyl)sulfanyl]-3-(3-methylphenyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one
D325-0594 Screening compound: 2-[(2-hydroxyethyl)sulfanyl]-3-(3-methylphenyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D325-0594
2-[(2-hydroxyethyl)sulfanyl]-3-(3-methylphenyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one

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

D325-0594

Molecular Formula

C26H28N2O2S (C26 H28 N2 O2 S)

Compound Name

2-[(2-hydroxyethyl)sulfanyl]-3-(3-methylphenyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one

IUPAC name

2-[(2-hydroxyethyl)sulfanyl]-3-(3-methylphenyl)-46-dihydro-3H-spiro[benzo[h]quinazoline-51'-cyclohexan]-4-one

SMILES

Cc1cccc(N2C(SCCO)=NC(c3c(CC45CCCCC5)cccc3)=C4C2=O)c1

InChI

InChI=1S/C26H28N2O2S/c1-18-8-7-10-20(16-18)28-24(30)22-23(27-25(28)31-15-14-29)21-11-4-3-9-19(21)17-26(22)12-5-2-6-13-26/h3-4,7-11,16,29H,2,5-6,12-15,17H2,1H3

InChI Key

OIRDLFUBKOLVDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.002

Distribution Coefficient, logD

4.844

Water Solubility, LogSw

-4.48

Polar Surface Area

41.865

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

D325-0594 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D325-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D325-0594?
Check Price and Availability of D325-0594, 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 D325-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D325-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D325-0594
  • 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 D325-0594 available by request