T987-2539 Screening compound: N-(2-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}cyclopentyl)-6-methoxypyridine-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound T987-2539
N-(2-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}cyclopentyl)-6-methoxypyridine-3-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
T987-2539
Molecular Formula
C21H29N3O3 (C21 H29 N3 O3)
Compound Name
N-(2-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}cyclopentyl)-6-methoxypyridine-3-carboxamide
IUPAC name
N-[(1R2S)-2-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}cyclopentyl]-6-methoxypyridine-3-carboxamide
SMILES
COc(cc1)ncc1C(N[C@@H](CCC1)[C@@H]1C(NCCC1=CCCCC1)=O)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
371.48
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.474
Distribution Coefficient, logD
2.474
Water Solubility, LogSw
-2.91
Polar Surface Area
66.162
Acid Dissociation Constant (pKa)
14.34
Base Dissociation Constant (pKb)
0.30
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
57.10
T987-2539 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
3D-Pharmacophore Based Diversity Library (49813 compounds)
Bcl2-PPI Inhibitors Library (12246 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Ligand-Gated Ion Channels Library (3887 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Antibacterial Compounds Library (13827 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Inhibitors of beta-Catenin Signaling (7445 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
MEF2-HDAC (class II) Modulators Library (5147 compounds)
SH2 PTB Focused Library (6188 compounds)
Included in 1.7M Stock Database
- 3D
- Mimetics
- Cyclic compounds
- Cancer
- Hemic and lymphatic
- Nervous system
- Eye
- Infections
- Immune system
- animal
- Cancer
- Cancer
- Musculoskeletal
- Female
- Hemic and lymphatic
- Cardiovascular
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Epigenetic
- Ion Channels
References: we are preparing a list of scientific research reports with T987-2539 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)