D322-0682 Screening compound: 4-cyclopropanecarbonyl-2-(pyridin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane]

D322-0682 Screening compound: 4-cyclopropanecarbonyl-2-(pyridin-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane]
D322-0682 Screening compound: 4-cyclopropanecarbonyl-2-(pyridin-3-yl)-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 D322-0682
4-cyclopropanecarbonyl-2-(pyridin-3-yl)-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

D322-0682

Molecular Formula

C23H29N5O (C23 H29 N5 O)

Compound Name

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

IUPAC name

(4aS8aR)-4-cyclopropanecarbonyl-2-(pyridin-3-yl)-4a56788a-hexahydro-4H-spiro[[124]triazolo[32-b]quinazoline-91'-cyclohexane]

SMILES

O=C(C1CC1)N1c2nc(-c3cnccc3)nn2C2(CCCCC2)[C@H]2[C@@H]1CCCC2

InChI

InChI=1S/C23H29N5O/c29-21(16-10-11-16)27-19-9-3-2-8-18(19)23(12-4-1-5-13-23)28-22(27)25-20(26-28)17-7-6-14-24-15-17/h6-7,14-16,18-19H,1-5,8-13H2/t18-,19-/m0/s1

InChI Key

CRHIDGOVZGVCMO-OALUTQOASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.845

Distribution Coefficient, logD

2.973

Water Solubility, LogSw

-4.03

Polar Surface Area

47.657

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.20

D322-0682 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D322-0682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D322-0682?
Check Price and Availability of D322-0682, 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 D322-0682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D322-0682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D322-0682
  • 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 D322-0682 available by request