P937-4154 Screening compound: N-cyclohexyl-3-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide

P937-4154 Screening compound: N-cyclohexyl-3-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide
P937-4154 Screening compound: N-cyclohexyl-3-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P937-4154
N-cyclohexyl-3-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide

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

P937-4154

Molecular Formula

C20H27N5O (C20 H27 N5 O)

Compound Name

N-cyclohexyl-3-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide

IUPAC name

N-cyclohexyl-3-[(5-phenyl-4H-124-triazol-3-yl)methyl]pyrrolidine-1-carboxamide

SMILES

O=C(NC1CCCCC1)N1CC(Cc2nnc(-c3ccccc3)[nH]2)CC1

InChI

InChI=1S/C20H27N5O/c26-20(21-17-9-5-2-6-10-17)25-12-11-15(14-25)13-18-22-19(24-23-18)16-7-3-1-4-8-16/h1,3-4,7-8,15,17H,2,5-6,9-14H2,(H,21,26)(H,22,23,24)/t15-/m0/s1

InChI Key

CSTWGNABCCVUPP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD30466343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.747

Distribution Coefficient, logD

3.711

Water Solubility, LogSw

-3.99

Polar Surface Area

61.558

Acid Dissociation Constant (pKa)

5.20

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

P937-4154 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with P937-4154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P937-4154?
Check Price and Availability of P937-4154, 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 P937-4154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P937-4154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P937-4154
  • 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 P937-4154 available by request