T987-2792 Screening compound: N~2~-{(1R,2S)-2-[(3-fluoro-4-methylanilino)carbonyl]cyclopentyl}-5-methyl-2-pyrazinecarboxamide
Chemical Structure Depiction of ChemDiv screening compound T987-2792
N~2~-{(1R,2S)-2-[(3-fluoro-4-methylanilino)carbonyl]cyclopentyl}-5-methyl-2-pyrazinecarboxamide
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
T987-2792
Molecular Formula
C19H21FN4O2 (C19 H21 FN4 O2)
Compound Name
N~2~-{(1R,2S)-2-[(3-fluoro-4-methylanilino)carbonyl]cyclopentyl}-5-methyl-2-pyrazinecarboxamide
IUPAC name
N-[(1R2S)-2-[(3-fluoro-4-methylphenyl)carbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide
SMILES
Cc(ccc(NC([C@H](CCC1)[C@H]1NC(c1ncc(C)nc1)=O)=O)c1)c1F
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
356.4
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.296
Distribution Coefficient, logD
2.295
Water Solubility, LogSw
-2.89
Polar Surface Area
66.306
Acid Dissociation Constant (pKa)
9.81
Base Dissociation Constant (pKb)
0.58
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
36.84
T987-2792 in Drug Discovery
Included in Screening Libraries
Bcl2-PPI Inhibitors Library (12246 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
- 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 T987-2792 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)