T413-2867 Screening compound: 1-phenyl-3-(pyridin-3-yl)-4-[(thiophen-2-yl)methyl]piperazine-2,5-dione

T413-2867 Screening compound: 1-phenyl-3-(pyridin-3-yl)-4-[(thiophen-2-yl)methyl]piperazine-2,5-dione
T413-2867 Screening compound: 1-phenyl-3-(pyridin-3-yl)-4-[(thiophen-2-yl)methyl]piperazine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound T413-2867
1-phenyl-3-(pyridin-3-yl)-4-[(thiophen-2-yl)methyl]piperazine-2,5-dione

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

T413-2867

Molecular Formula

C20H17N3O2S (C20 H17 N3 O2 S)

Compound Name

1-phenyl-3-(pyridin-3-yl)-4-[(thiophen-2-yl)methyl]piperazine-2,5-dione

IUPAC name

1-phenyl-3-(pyridin-3-yl)-4-[(thiophen-2-yl)methyl]piperazine-25-dione

SMILES

O=C(CN1c2ccccc2)N(Cc2cccs2)C(c2cnccc2)C1=O

InChI

InChI=1S/C20H17N3O2S/c24-18-14-22(16-7-2-1-3-8-16)20(25)19(15-6-4-10-21-12-15)23(18)13-17-9-5-11-26-17/h1-12,19H,13-14H2

InChI Key

BUYCNENLGAQQKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27620567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.334

Distribution Coefficient, logD

2.334

Water Solubility, LogSw

-2.27

Polar Surface Area

42.651

Acid Dissociation Constant (pKa)

14.81

Base Dissociation Constant (pKb)

2.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

T413-2867 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

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

GPCR Targeted Library (31838 compounds)

Immunological Library (6760 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T413-2867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T413-2867?
Check Price and Availability of T413-2867, 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 T413-2867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T413-2867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T413-2867
  • 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 T413-2867 available by request