T828-0377 Screening compound: N-(2,3-dihydro-1H-inden-5-yl)-2-(piperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
Chemical Structure Depiction of ChemDiv screening compound T828-0377
N-(2,3-dihydro-1H-inden-5-yl)-2-(piperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
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
T828-0377
Molecular Formula
C23H28N4O (C23 H28 N4 O)
Compound Name
N-(2,3-dihydro-1H-inden-5-yl)-2-(piperidin-1-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
IUPAC name
N-(23-dihydro-1H-inden-5-yl)-2-(piperidin-1-yl)-5678-tetrahydroquinazoline-6-carboxamide
SMILES
O=C(C(CC1)Cc2c1nc(N1CCCCC1)nc2)Nc1cc(CCC2)c2cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
376.5
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.022
Distribution Coefficient, logD
4.021
Water Solubility, LogSw
-3.92
Polar Surface Area
46.510
Acid Dissociation Constant (pKa)
11.54
Base Dissociation Constant (pKb)
4.41
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
52.20
T828-0377 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
3D-Pharmacophore Based Diversity Library (49813 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
GPCR Targeted Library (31838 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Histone Deacetylases (HDAC) Targeted Library (9760 compounds)
Included in 1.7M Stock Database
- 3D
- Mimetics
- Mimetics
- Cyclic compounds
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Cancer
- Nervous system
- Hemic and lymphatic
- Endocrine
- Immune system
- GPCR
- Receptor's ligands
- PPI modulators
- PPI modulators
- PPI modulators
- Epigenetic
References: we are preparing a list of scientific research reports with T828-0377 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)