D322-0184 Screening compound: 2-(4-methoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane]

D322-0184 Screening compound: 2-(4-methoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane]
D322-0184 Screening compound: 2-(4-methoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane] alternative view

Chemical Structure Depiction of ChemDiv screening compound D322-0184
2-(4-methoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-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

D322-0184

Molecular Formula

C21H28N4O (C21 H28 N4 O)

Compound Name

2-(4-methoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane]

IUPAC name

(4aS8aR)-2-(4-methoxyphenyl)-4a56788a-hexahydro-4H-spiro[[124]triazolo[32-b]quinazoline-91'-cyclohexane]

SMILES

COc(cc1)ccc1-c1nn(C2(CCCCC2)[C@H](CCCC2)[C@H]2N2)c2n1

InChI

InChI=1S/C21H28N4O/c1-26-16-11-9-15(10-12-16)19-23-20-22-18-8-4-3-7-17(18)21(25(20)24-19)13-5-2-6-14-21/h9-12,17-18H,2-8,13-14H2,1H3,(H,22,23,24)/t17-,18+/m0/s1

InChI Key

NBNBVDOUPBARLX-ZWKOTPCHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.241

Distribution Coefficient, logD

5.241

Water Solubility, LogSw

-4.95

Polar Surface Area

45.450

Acid Dissociation Constant (pKa)

19.38

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.90

D322-0184 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

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

Cardiovascular Library (22201 compounds)

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D322-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D322-0184?
Check Price and Availability of D322-0184, 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 D322-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D322-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D322-0184
  • 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 D322-0184 available by request