T990-3951 Screening compound: 3-{4-[(5-methyl-2-thienyl)carbonyl]piperazino}-1-(2-pyridylmethyl)-2-pyrrolidinone

T990-3951 Screening compound: 3-{4-[(5-methyl-2-thienyl)carbonyl]piperazino}-1-(2-pyridylmethyl)-2-pyrrolidinone
T990-3951 Screening compound: 3-{4-[(5-methyl-2-thienyl)carbonyl]piperazino}-1-(2-pyridylmethyl)-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound T990-3951
3-{4-[(5-methyl-2-thienyl)carbonyl]piperazino}-1-(2-pyridylmethyl)-2-pyrrolidinone

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

T990-3951

Molecular Formula

C20H24N4O2S (C20 H24 N4 O2 S)

Compound Name

3-{4-[(5-methyl-2-thienyl)carbonyl]piperazino}-1-(2-pyridylmethyl)-2-pyrrolidinone

IUPAC name

3-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-1-[(pyridin-2-yl)methyl]pyrrolidin-2-one

SMILES

Cc1ccc(C(N(CC2)CCN2C(CCN2Cc3ncccc3)C2=O)=O)s1

InChI

InChI=1S/C20H24N4O2S/c1-15-5-6-18(27-15)20(26)23-12-10-22(11-13-23)17-7-9-24(19(17)25)14-16-4-2-3-8-21-16/h2-6,8,17H,7,9-14H2,1H3/t17-/m0/s1

InChI Key

PMIBFKMQXWECPY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD28999821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.661

Distribution Coefficient, logD

1.661

Water Solubility, LogSw

-2.18

Polar Surface Area

46.799

Acid Dissociation Constant (pKa)

14.60

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

T990-3951 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 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)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with T990-3951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T990-3951?
Check Price and Availability of T990-3951, 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.
What is the minimum amount of T990-3951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T990-3951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T990-3951
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of T990-3951 available by request