S724-2087 Screening compound: N-(2-methoxyethyl)-N-methyl-1-(1-{[(oxolan-2-yl)methyl]carbamoyl}azetidin-3-yl)-1H-1,2,3-triazole-4-carboxamide

S724-2087 Screening compound: N-(2-methoxyethyl)-N-methyl-1-(1-{[(oxolan-2-yl)methyl]carbamoyl}azetidin-3-yl)-1H-1,2,3-triazole-4-carboxamide
S724-2087 Screening compound: N-(2-methoxyethyl)-N-methyl-1-(1-{[(oxolan-2-yl)methyl]carbamoyl}azetidin-3-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S724-2087
N-(2-methoxyethyl)-N-methyl-1-(1-{[(oxolan-2-yl)methyl]carbamoyl}azetidin-3-yl)-1H-1,2,3-triazole-4-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

S724-2087

Molecular Formula

C16H26N6O4 (C16 H26 N6 O4)

Compound Name

N-(2-methoxyethyl)-N-methyl-1-(1-{[(oxolan-2-yl)methyl]carbamoyl}azetidin-3-yl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-(2-methoxyethyl)-N-methyl-1-(1-{[(oxolan-2-yl)methyl]carbamoyl}azetidin-3-yl)-1H-123-triazole-4-carboxamide

SMILES

CN(CCOC)C(c1cn(C(C2)CN2C(NCC2OCCC2)=O)nn1)=O

InChI

InChI=1S/C16H26N6O4/c1-20(5-7-25-2)15(23)14-11-22(19-18-14)12-9-21(10-12)16(24)17-8-13-4-3-6-26-13/h11-13H,3-10H2,1-2H3,(H,17,24)/t13-/m1/s1

InChI Key

CJQRVAVDXPGATL-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD31980977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-1.263

Distribution Coefficient, logD

-1.263

Water Solubility, LogSw

-0.90

Polar Surface Area

86.631

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

S724-2087 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S724-2087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S724-2087?
Check Price and Availability of S724-2087, 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 S724-2087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S724-2087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S724-2087
  • 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 S724-2087 available by request