T139-0405 Screening compound: 1-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-5-oxo-N-[(pyridin-3-yl)methyl]pyrrolidine-2-carboxamide

T139-0405 Screening compound: 1-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-5-oxo-N-[(pyridin-3-yl)methyl]pyrrolidine-2-carboxamide
T139-0405 Screening compound: 1-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-5-oxo-N-[(pyridin-3-yl)methyl]pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T139-0405
1-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-5-oxo-N-[(pyridin-3-yl)methyl]pyrrolidine-2-carboxamide

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

T139-0405

Molecular Formula

C22H26N4O3S (C22 H26 N4 O3 S)

Compound Name

1-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-5-oxo-N-[(pyridin-3-yl)methyl]pyrrolidine-2-carboxamide

IUPAC name

1-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-5-oxo-N-[(pyridin-3-yl)methyl]pyrrolidine-2-carboxamide

SMILES

Cc1c(C(N(CC2)CCC2N(C(CC2)C(NCc3cnccc3)=O)C2=O)=O)scc1

InChI

InChI=1S/C22H26N4O3S/c1-15-8-12-30-20(15)22(29)25-10-6-17(7-11-25)26-18(4-5-19(26)27)21(28)24-14-16-3-2-9-23-13-16/h2-3,8-9,12-13,17-18H,4-7,10-11,14H2,1H3,(H,24,28)/t18-/m0/s1

InChI Key

PWVWGZVZWDISPB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31994073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.139

Distribution Coefficient, logD

1.136

Water Solubility, LogSw

-1.46

Polar Surface Area

67.642

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.46

T139-0405 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with T139-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T139-0405?
Check Price and Availability of T139-0405, 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 T139-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T139-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T139-0405
  • 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 T139-0405 available by request