P936-2240 Screening compound: 4-benzyl-3-{[1-(ethanesulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazole

P936-2240 Screening compound: 4-benzyl-3-{[1-(ethanesulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazole
P936-2240 Screening compound: 4-benzyl-3-{[1-(ethanesulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P936-2240
4-benzyl-3-{[1-(ethanesulfonyl)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

P936-2240

Molecular Formula

C16H22N4O2S (C16 H22 N4 O2 S)

Compound Name

4-benzyl-3-{[1-(ethanesulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazole

IUPAC name

4-benzyl-3-{[1-(ethanesulfonyl)pyrrolidin-3-yl]methyl}-4H-124-triazole

SMILES

CCS(N1CC(Cc2nncn2Cc2ccccc2)CC1)(=O)=O

InChI

InChI=1S/C16H22N4O2S/c1-2-23(21,22)20-9-8-15(12-20)10-16-18-17-13-19(16)11-14-6-4-3-5-7-14/h3-7,13,15H,2,8-12H2,1H3/t15-/m0/s1

InChI Key

CCQRNHBVVPABNG-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29014144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.465

Distribution Coefficient, logD

1.465

Water Solubility, LogSw

-2.24

Polar Surface Area

57.475

Acid Dissociation Constant (pKa)

19.60

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

P936-2240 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

References: we are preparing a list of scientific research reports with P936-2240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P936-2240?
Check Price and Availability of P936-2240, 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 P936-2240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P936-2240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P936-2240
  • 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 P936-2240 available by request