P937-1867 Screening compound: 3-phenyl-5-[(pyrrolidin-3-yl)methyl]-4H-1,2,4-triazole

P937-1867 Screening compound: 3-phenyl-5-[(pyrrolidin-3-yl)methyl]-4H-1,2,4-triazole
P937-1867 Screening compound: 3-phenyl-5-[(pyrrolidin-3-yl)methyl]-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P937-1867
3-phenyl-5-[(pyrrolidin-3-yl)methyl]-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

P937-1867

Molecular Formula

C13H16N4 (C13 H16 N4)

Compound Name

3-phenyl-5-[(pyrrolidin-3-yl)methyl]-4H-1,2,4-triazole

IUPAC name

3-phenyl-5-[(pyrrolidin-3-yl)methyl]-4H-124-triazole

SMILES

C(C1CNCC1)c1nnc(-c2ccccc2)[nH]1

InChI

InChI=1S/C13H16N4/c1-2-4-11(5-3-1)13-15-12(16-17-13)8-10-6-7-14-9-10/h1-5,10,14H,6-9H2,(H,15,16,17)/t10-/m1/s1

InChI Key

BUALELCNKQLAHU-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD28639182

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

228.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.664

Distribution Coefficient, logD

-2.499

Water Solubility, LogSw

-1.50

Polar Surface Area

47.192

Acid Dissociation Constant (pKa)

5.20

Base Dissociation Constant (pKb)

11.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

P937-1867 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with P937-1867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P937-1867?
Check Price and Availability of P937-1867, 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 P937-1867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P937-1867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P937-1867
  • 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 P937-1867 available by request