S724-1002 Screening compound: N-benzyl-1-[1-(4-cyanobenzoyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carboxamide

S724-1002 Screening compound: N-benzyl-1-[1-(4-cyanobenzoyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carboxamide
S724-1002 Screening compound: N-benzyl-1-[1-(4-cyanobenzoyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S724-1002
N-benzyl-1-[1-(4-cyanobenzoyl)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

S724-1002

Molecular Formula

C21H18N6O2 (C21 H18 N6 O2)

Compound Name

N-benzyl-1-[1-(4-cyanobenzoyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-benzyl-1-[1-(4-cyanobenzoyl)azetidin-3-yl]-1H-123-triazole-4-carboxamide

SMILES

N#Cc(cc1)ccc1C(N(C1)CC1n1nnc(C(NCc2ccccc2)=O)c1)=O

InChI

InChI=1S/C21H18N6O2/c22-10-15-6-8-17(9-7-15)21(29)26-12-18(13-26)27-14-19(24-25-27)20(28)23-11-16-4-2-1-3-5-16/h1-9,14,18H,11-13H2,(H,23,28)

InChI Key

IYCFPOHERPGVSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32226823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.182

Distribution Coefficient, logD

1.182

Water Solubility, LogSw

-1.69

Polar Surface Area

84.560

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

S724-1002 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 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 S724-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S724-1002?
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What is the minimum amount of S724-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S724-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S724-1002
  • 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 S724-1002 available by request