D322-0505 Screening compound: 1-[2-(propan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexan]-4-yl]ethan-1-one

D322-0505 Screening compound: 1-[2-(propan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexan]-4-yl]ethan-1-one
D322-0505 Screening compound: 1-[2-(propan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexan]-4-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D322-0505
1-[2-(propan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexan]-4-yl]ethan-1-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

D322-0505

Molecular Formula

C19H30N4O (C19 H30 N4 O)

Compound Name

1-[2-(propan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexan]-4-yl]ethan-1-one

IUPAC name

1-[(4aS8aR)-2-(propan-2-yl)-4a56788a-hexahydro-4H-spiro[[124]triazolo[32-b]quinazoline-91'-cyclohexan]-4-yl]ethan-1-one

SMILES

CC(C)c1nn(C2(CCCCC2)[C@H](CCCC2)[C@H]2N2C(C)=O)c2n1

InChI

InChI=1S/C19H30N4O/c1-13(2)17-20-18-22(14(3)24)16-10-6-5-9-15(16)19(23(18)21-17)11-7-4-8-12-19/h13,15-16H,4-12H2,1-3H3/t15-,16-/m0/s1

InChI Key

IEBSLIZIJQBVGO-HOTGVXAUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.699

Distribution Coefficient, logD

3.699

Water Solubility, LogSw

-3.86

Polar Surface Area

38.627

Acid Dissociation Constant (pKa)

21.54

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

84.20

D322-0505 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with D322-0505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D322-0505?
Check Price and Availability of D322-0505, 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 D322-0505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D322-0505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D322-0505
  • 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 D322-0505 available by request