D325-0590 Screening compound: 2-[(2-hydroxyethyl)sulfanyl]-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one

D325-0590 Screening compound: 2-[(2-hydroxyethyl)sulfanyl]-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one
D325-0590 Screening compound: 2-[(2-hydroxyethyl)sulfanyl]-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D325-0590
2-[(2-hydroxyethyl)sulfanyl]-3-(prop-2-en-1-yl)-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

D325-0590

Molecular Formula

C22H26N2O2S (C22 H26 N2 O2 S)

Compound Name

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

IUPAC name

2-[(2-hydroxyethyl)sulfanyl]-3-(prop-2-en-1-yl)-46-dihydro-3H-spiro[benzo[h]quinazoline-51'-cyclohexan]-4-one

SMILES

C=CCN1C(SCCO)=NC(c2c(CC34CCCCC4)cccc2)=C3C1=O

InChI

InChI=1S/C22H26N2O2S/c1-2-12-24-20(26)18-19(23-21(24)27-14-13-25)17-9-5-4-8-16(17)15-22(18)10-6-3-7-11-22/h2,4-5,8-9,25H,1,3,6-7,10-15H2

InChI Key

SFHRHYYCXBXVHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.869

Distribution Coefficient, logD

3.869

Water Solubility, LogSw

-3.76

Polar Surface Area

42.726

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

D325-0590 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D325-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D325-0590?
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What is the minimum amount of D325-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D325-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D325-0590
  • 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 D325-0590 available by request