P936-3661 Screening compound: 1-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)-2-phenoxyethan-1-one

P936-3661 Screening compound: 1-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)-2-phenoxyethan-1-one
P936-3661 Screening compound: 1-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)-2-phenoxyethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P936-3661
1-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)-2-phenoxyethan-1-one

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

P936-3661

Molecular Formula

C19H24N4O2 (C19 H24 N4 O2)

Compound Name

1-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)-2-phenoxyethan-1-one

IUPAC name

1-(3-{[4-(cyclopropylmethyl)-4H-124-triazol-3-yl]methyl}pyrrolidin-1-yl)-2-phenoxyethan-1-one

SMILES

O=C(COc1ccccc1)N1CC(Cc2nncn2CC2CC2)CC1

InChI

InChI=1S/C19H24N4O2/c24-19(13-25-17-4-2-1-3-5-17)22-9-8-16(12-22)10-18-21-20-14-23(18)11-15-6-7-15/h1-5,14-16H,6-13H2/t16-/m0/s1

InChI Key

ZISCFIJCJCLSMQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31992365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.740

Distribution Coefficient, logD

1.740

Water Solubility, LogSw

-1.81

Polar Surface Area

49.742

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.63

P936-3661 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P936-3661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P936-3661?
Check Price and Availability of P936-3661, 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 P936-3661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P936-3661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P936-3661
  • 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 P936-3661 available by request