T956-0243 Screening compound: 2-CYCLOPENTYL-1-[3-(4-HYDROXY-1-METHYLPYRROLIDIN-2-YL)-5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-D][1,4]DIAZEPIN-7-YL]ETHAN-1-ONE
Chemical Structure Depiction of ChemDiv screening compound T956-0243
2-CYCLOPENTYL-1-[3-(4-HYDROXY-1-METHYLPYRROLIDIN-2-YL)-5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-D][1,4]DIAZEPIN-7-YL]ETHAN-1-ONE
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
T956-0243
Molecular Formula
C18H29N5O2 (C18 H29 N5 O2)
Compound Name
2-CYCLOPENTYL-1-[3-(4-HYDROXY-1-METHYLPYRROLIDIN-2-YL)-5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-D][1,4]DIAZEPIN-7-YL]ETHAN-1-ONE
IUPAC name
2-cyclopentyl-1-{3-[(2S4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5H6H7H8H9H-[124]triazolo[43-d][14]diazepin-7-yl}ethan-1-one
SMILES
CN(C[C@@H](C1)O)[C@@H]1c1nnc(CC2)n1CCN2C(CC1CCCC1)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
347.46
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
0.015
Distribution Coefficient, logD
-0.213
Water Solubility, LogSw
-0.22
Polar Surface Area
61.350
Acid Dissociation Constant (pKa)
17.02
Base Dissociation Constant (pKb)
7.24
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
83.33
T956-0243 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Allosteric Kinases Inhibitors Library (23117 compounds)
Antiviral HBV Library (10007 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS MPO Library (28609 compounds)
Natural-Product-Based Library (3730 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Anti-HIV1 Library (19540 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Antiviral
- Infections
- Immune system
- Nervous system
- Antiviral
- Infections
- Immune system
- Kinases
- Pool
- Mimetics
- Mimetics
- Cyclic compounds
- Mimetics
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with T956-0243 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)