T990-2010 Screening compound: 1-(2-methoxyethyl)-3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
Chemical Structure Depiction of ChemDiv screening compound T990-2010
1-(2-methoxyethyl)-3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyrrolidin-2-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
T990-2010
Molecular Formula
C17H25N3O3S (C17 H25 N3 O3 S)
Compound Name
1-(2-methoxyethyl)-3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
IUPAC name
1-(2-methoxyethyl)-3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILES
Cc1ccc(C(N(CC2)CCN2C(CCN2CCOC)C2=O)=O)s1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
351.47
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.256
Distribution Coefficient, logD
1.256
Water Solubility, LogSw
-2.02
Polar Surface Area
45.849
Acid Dissociation Constant (pKa)
15.18
Base Dissociation Constant (pKb)
4.50
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
64.70
T990-2010 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
KRAS-Targeted Library (16000 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Soluble Diversity Library (15920 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Cancer
- Kinases
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with T990-2010 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)