D322-0775 Screening compound: 4-cyclohexanecarbonyl-2-(morpholine-4-carbonyl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane]
Chemical Structure Depiction of ChemDiv screening compound D322-0775
4-cyclohexanecarbonyl-2-(morpholine-4-carbonyl)-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
D322-0775
Molecular Formula
C26H39N5O3 (C26 H39 N5 O3)
Compound Name
4-cyclohexanecarbonyl-2-(morpholine-4-carbonyl)-4a,5,6,7,8,8a-hexahydro-4H-spiro[[1,2,4]triazolo[3,2-b]quinazoline-9,1'-cyclohexane]
IUPAC name
(4aS8aR)-4-cyclohexanecarbonyl-2-(morpholine-4-carbonyl)-4a56788a-hexahydro-4H-spiro[[124]triazolo[32-b]quinazoline-91'-cyclohexane]
SMILES
O=C(C1CCCCC1)N1c2nc(C(N3CCOCC3)=O)nn2C2(CCCCC2)[C@H]2[C@@H]1CCCC2
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
469.63
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.867
Distribution Coefficient, logD
3.867
Water Solubility, LogSw
-3.97
Polar Surface Area
62.636
Acid Dissociation Constant (pKa)
22.64
Base Dissociation Constant (pKb)
-0.11
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
84.60
D322-0775 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Autophagy-Targeted Library (4564 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Protein-Protein Interaction Library (218420 compounds)
Regenerative Medicine Focused Library (23016 compounds)
Spiro Library (21655 compounds)
Targeted Diversity Library (40567 compounds)
Akt-Targeted Library (14764 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- Infections
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- PPI modulators
- PPI modulators
- Cyclic compounds
- Cyclic compounds
- Kinases
References: we are preparing a list of scientific research reports with D322-0775 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)