D165-0209 Screening compound: 4-[2-(4-tert-butylphenyl)-1H-naphtho[1,2-f][1,3,5]triazepin-4-yl]pyridine
Chemical Structure Depiction of ChemDiv screening compound D165-0209
4-[2-(4-tert-butylphenyl)-1H-naphtho[1,2-f][1,3,5]triazepin-4-yl]pyridine
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
D165-0209
Molecular Formula
C27H24N4 (C27 H24 N4)
Compound Name
4-[2-(4-tert-butylphenyl)-1H-naphtho[1,2-f][1,3,5]triazepin-4-yl]pyridine
IUPAC name
4-[2-(4-tert-butylphenyl)-1H-naphtho[12-f][135]triazepin-4-yl]pyridine
SMILES
CC(C)(C)c(cc1)ccc1C1=NC(c2ccncc2)=Nc(ccc2ccccc22)c2N1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
404.51
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
5.833
Distribution Coefficient, logD
5.491
Water Solubility, LogSw
-6.77
Polar Surface Area
38.380
Acid Dissociation Constant (pKa)
11.67
Base Dissociation Constant (pKb)
7.48
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
14.80
D165-0209 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
KRAS-Targeted Library (16000 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Protein-Protein Interaction Library (218420 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Kinases
- Others
- Phosphatases
- Epigenetic
- PPI modulators
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with D165-0209 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)