D325-0422 Screening compound: 2-(phenoxymethyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]

D325-0422 Screening compound: 2-(phenoxymethyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
D325-0422 Screening compound: 2-(phenoxymethyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane] alternative view

Chemical Structure Depiction of ChemDiv screening compound D325-0422
2-(phenoxymethyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-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

D325-0422

Molecular Formula

C25H24N4O (C25 H24 N4 O)

Compound Name

2-(phenoxymethyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]

IUPAC name

13'-(phenoxymethyl)-12'14'15'17'-tetraazaspiro[cyclohexane-19'-tetracyclo[8.7.0.0^{27}.0^{1115}]heptadecane]-1'(10')2'(7')3'5'11'13'16'-heptaene

SMILES

C(c1nn(cnc-2c3C4(CCCCC4)Cc4c2cccc4)c3n1)Oc1ccccc1

InChI

InChI=1S/C25H24N4O/c1-3-10-19(11-4-1)30-16-21-27-24-22-23(26-17-29(24)28-21)20-12-6-5-9-18(20)15-25(22)13-7-2-8-14-25/h1,3-6,9-12,17H,2,7-8,13-16H2

InChI Key

NTQFSLZTSVTYET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.792

Distribution Coefficient, logD

2.403

Water Solubility, LogSw

-4.84

Polar Surface Area

42.021

Acid Dissociation Constant (pKa)

22.79

Base Dissociation Constant (pKb)

9.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

D325-0422 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Steroid-like Compounds (494 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Immune system
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D325-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D325-0422?
Check Price and Availability of D325-0422, 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 D325-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D325-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D325-0422
  • 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 D325-0422 available by request