S724-0623 Screening compound: 1-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)azetidin-3-yl]-4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazole

S724-0623 Screening compound: 1-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)azetidin-3-yl]-4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazole
S724-0623 Screening compound: 1-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)azetidin-3-yl]-4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S724-0623
1-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)azetidin-3-yl]-4-(pyrrolidine-1-carbonyl)-1H-1,2,3-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

S724-0623

Molecular Formula

C18H21N5O5S (C18 H21 N5 O5 S)

Compound Name

1-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)azetidin-3-yl]-4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazole

IUPAC name

1-[1-(23-dihydro-14-benzodioxine-6-sulfonyl)azetidin-3-yl]-4-(pyrrolidine-1-carbonyl)-1H-123-triazole

SMILES

O=C(c1cn(C(C2)CN2S(c(cc2)cc3c2OCCO3)(=O)=O)nn1)N1CCCC1

InChI

InChI=1S/C18H21N5O5S/c24-18(21-5-1-2-6-21)15-12-23(20-19-15)13-10-22(11-13)29(25,26)14-3-4-16-17(9-14)28-8-7-27-16/h3-4,9,12-13H,1-2,5-8,10-11H2

InChI Key

IVCIESZHVCAASW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31968120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.042

Distribution Coefficient, logD

0.042

Water Solubility, LogSw

-2.10

Polar Surface Area

90.991

Acid Dissociation Constant (pKa)

24.62

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S724-0623 in Drug Discovery

Included in Screening Libraries

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)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S724-0623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S724-0623?
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What is the minimum amount of S724-0623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S724-0623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S724-0623
  • 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 S724-0623 available by request