S724-0753 Screening compound: 4-{1-[1-(1-methyl-1H-pyrrole-2-carbonyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carbonyl}morpholine

S724-0753 Screening compound: 4-{1-[1-(1-methyl-1H-pyrrole-2-carbonyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carbonyl}morpholine
S724-0753 Screening compound: 4-{1-[1-(1-methyl-1H-pyrrole-2-carbonyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carbonyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound S724-0753
4-{1-[1-(1-methyl-1H-pyrrole-2-carbonyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carbonyl}morpholine

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

S724-0753

Molecular Formula

C16H20N6O3 (C16 H20 N6 O3)

Compound Name

4-{1-[1-(1-methyl-1H-pyrrole-2-carbonyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carbonyl}morpholine

IUPAC name

4-{1-[1-(1-methyl-1H-pyrrole-2-carbonyl)azetidin-3-yl]-1H-123-triazole-4-carbonyl}morpholine

SMILES

Cn1c(C(N(C2)CC2n2nnc(C(N3CCOCC3)=O)c2)=O)ccc1

InChI

InChI=1S/C16H20N6O3/c1-19-4-2-3-14(19)16(24)21-9-12(10-21)22-11-13(17-18-22)15(23)20-5-7-25-8-6-20/h2-4,11-12H,5-10H2,1H3

InChI Key

YBYXPRFYLCLQAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31968184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.057

Distribution Coefficient, logD

-0.057

Water Solubility, LogSw

-0.80

Polar Surface Area

70.064

Acid Dissociation Constant (pKa)

24.46

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S724-0753 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Soluble Diversity Library (15920 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S724-0753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S724-0753?
Check Price and Availability of S724-0753, 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 S724-0753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S724-0753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S724-0753
  • 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 S724-0753 available by request