P936-0250 Screening compound: 4-methyl-3-[(pyrrolidin-3-yl)methyl]-4H-1,2,4-triazole

P936-0250 Screening compound: 4-methyl-3-[(pyrrolidin-3-yl)methyl]-4H-1,2,4-triazole
P936-0250 Screening compound: 4-methyl-3-[(pyrrolidin-3-yl)methyl]-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P936-0250
4-methyl-3-[(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

P936-0250

Molecular Formula

C8H14N4 (C8 H14 N4)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(CC2CNCC2)nnc1

InChI

InChI=1S/C8H14N4/c1-12-6-10-11-8(12)4-7-2-3-9-5-7/h6-7,9H,2-5H2,1H3/t7-/m1/s1

InChI Key

VUQCWTGTZZZUMQ-SSDOTTSWSA-N

MDL Number (MFCD)

MFCD21331915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

166.23

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.325

Distribution Coefficient, logD

-4.576

Water Solubility, LogSw

-0.39

Polar Surface Area

38.577

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

11.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

P936-0250 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P936-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P936-0250?
Check Price and Availability of P936-0250, 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 P936-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P936-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P936-0250
  • 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 P936-0250 available by request