T828-0483 Screening compound: N-[(2,4-DIFLUOROPHENYL)METHYL]-2-(PIPERIDIN-1-YL)-5,6,7,8-TETRAHYDROQUINAZOLINE-6-CARBOXAMIDE
Chemical Structure Depiction of ChemDiv screening compound T828-0483
N-[(2,4-DIFLUOROPHENYL)METHYL]-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
T828-0483
Molecular Formula
C21H24F2N4O (C21 H24 F2 N4 O)
Compound Name
N-[(2,4-DIFLUOROPHENYL)METHYL]-2-(PIPERIDIN-1-YL)-5,6,7,8-TETRAHYDROQUINAZOLINE-6-CARBOXAMIDE
IUPAC name
N-[(24-difluorophenyl)methyl]-2-(piperidin-1-yl)-5678-tetrahydroquinazoline-6-carboxamide
SMILES
O=C(C(CC1)Cc2c1nc(N1CCCCC1)nc2)NCc(ccc(F)c1)c1F
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
386.44
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.312
Distribution Coefficient, logD
3.311
Water Solubility, LogSw
-3.21
Polar Surface Area
47.545
Acid Dissociation Constant (pKa)
11.53
Base Dissociation Constant (pKb)
4.41
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
47.60
T828-0483 in Drug Discovery
Included in Screening Libraries
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with T828-0483 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)