T990-3814 Screening compound: 3-[4-(3-chloro-4-methoxybenzenesulfonyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one
Chemical Structure Depiction of ChemDiv screening compound T990-3814
3-[4-(3-chloro-4-methoxybenzenesulfonyl)piperazin-1-yl]-1-(3-methylbutyl)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
T990-3814
Molecular Formula
C20H30ClN3O4S (C20 H30 ClN3 O4 S)
Compound Name
3-[4-(3-chloro-4-methoxybenzenesulfonyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one
IUPAC name
3-[4-(3-chloro-4-methoxybenzenesulfonyl)piperazin-1-yl]-1-(3-methylbutyl)pyrrolidin-2-one
SMILES
CC(C)CCN(CCC1N(CC2)CCN2S(c(cc2)cc(Cl)c2OC)(=O)=O)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
443.99
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.745
Distribution Coefficient, logD
2.744
Water Solubility, LogSw
-3.37
Polar Surface Area
59.181
Acid Dissociation Constant (pKa)
15.18
Base Dissociation Constant (pKb)
4.76
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
65.00
T990-3814 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antiviral Library (67538 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 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
- Antiviral
- Infections
- Immune system
- Cancer
- 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 T990-3814 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of T990-3814, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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)