P944-2449 Screening compound: 4-[1-(3-METHYLTHIOPHENE-2-CARBONYL)PYRROLIDIN-3-YL]-3-PHENYL-4H-1,2,4-TRIAZOLE

P944-2449 Screening compound: 4-[1-(3-METHYLTHIOPHENE-2-CARBONYL)PYRROLIDIN-3-YL]-3-PHENYL-4H-1,2,4-TRIAZOLE
P944-2449 Screening compound: 4-[1-(3-METHYLTHIOPHENE-2-CARBONYL)PYRROLIDIN-3-YL]-3-PHENYL-4H-1,2,4-TRIAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound P944-2449
4-[1-(3-METHYLTHIOPHENE-2-CARBONYL)PYRROLIDIN-3-YL]-3-PHENYL-4H-1,2,4-TRIAZOLE

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

P944-2449

Molecular Formula

C18H18N4OS (C18 H18 N4 OS)

Compound Name

4-[1-(3-METHYLTHIOPHENE-2-CARBONYL)PYRROLIDIN-3-YL]-3-PHENYL-4H-1,2,4-TRIAZOLE

IUPAC name

4-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]-3-phenyl-4H-124-triazole

SMILES

Cc1c(C(N(CC2)CC2n2c(-c3ccccc3)nnc2)=O)scc1

InChI

InChI=1S/C18H18N4OS/c1-13-8-10-24-16(13)18(23)21-9-7-15(11-21)22-12-19-20-17(22)14-5-3-2-4-6-14/h2-6,8,10,12,15H,7,9,11H2,1H3/t15-/m1/s1

InChI Key

FBPYRKBJOPZTMF-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27616238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.835

Distribution Coefficient, logD

2.835

Water Solubility, LogSw

-2.90

Polar Surface Area

42.389

Acid Dissociation Constant (pKa)

17.46

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.78

P944-2449 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 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:
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Others

References: we are preparing a list of scientific research reports with P944-2449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P944-2449?
Check Price and Availability of P944-2449, 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 P944-2449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P944-2449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P944-2449
  • 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 P944-2449 available by request