T987-2720 Screening compound: 4-methoxy-N-(2-{[(pyridin-4-yl)methyl]carbamoyl}cyclopentyl)benzamide
Chemical Structure Depiction of ChemDiv screening compound T987-2720
4-methoxy-N-(2-{[(pyridin-4-yl)methyl]carbamoyl}cyclopentyl)benzamide
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
T987-2720
Molecular Formula
C20H23N3O3 (C20 H23 N3 O3)
Compound Name
4-methoxy-N-(2-{[(pyridin-4-yl)methyl]carbamoyl}cyclopentyl)benzamide
IUPAC name
4-methoxy-N-[(1R2S)-2-{[(pyridin-4-yl)methyl]carbamoyl}cyclopentyl]benzamide
SMILES
COc(cc1)ccc1C(N[C@@H](CCC1)[C@@H]1C(NCc1ccncc1)=O)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
353.42
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
0.988
Distribution Coefficient, logD
0.985
Water Solubility, LogSw
-1.90
Polar Surface Area
66.518
Acid Dissociation Constant (pKa)
12.73
Base Dissociation Constant (pKb)
5.29
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
35.00
T987-2720 in Drug Discovery
Included in Screening Libraries
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 Arginine Methyltransferases Library (27925 compounds)
Protein-Protein Interaction Library (218420 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
- Cancer
- Hemic and lymphatic
- Nervous system
- Nervous system
- Eye
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Cancer
- Cancer
- Musculoskeletal
- Female
- Hemic and lymphatic
- Cardiovascular
- PPI modulators
- PPI modulators
- Epigenetic
- PPI modulators
- PPI modulators
- PPI modulators
- Epigenetic
- Ion Channels
- Others
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with T987-2720 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)