S724-0191 Screening compound: 1-{1-[(3-cyanophenyl)methyl]azetidin-3-yl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide

S724-0191 Screening compound: 1-{1-[(3-cyanophenyl)methyl]azetidin-3-yl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
S724-0191 Screening compound: 1-{1-[(3-cyanophenyl)methyl]azetidin-3-yl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S724-0191
1-{1-[(3-cyanophenyl)methyl]azetidin-3-yl}-N,N-dimethyl-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

S724-0191

Molecular Formula

C16H18N6O (C16 H18 N6 O)

Compound Name

1-{1-[(3-cyanophenyl)methyl]azetidin-3-yl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-{1-[(3-cyanophenyl)methyl]azetidin-3-yl}-NN-dimethyl-1H-123-triazole-4-carboxamide

SMILES

CN(C)C(c1cn(C2CN(Cc3cc(C#N)ccc3)C2)nn1)=O

InChI

InChI=1S/C16H18N6O/c1-20(2)16(23)15-11-22(19-18-15)14-9-21(10-14)8-13-5-3-4-12(6-13)7-17/h3-6,11,14H,8-10H2,1-2H3

InChI Key

KFMYIAIBUXUJSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31967801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.304

Distribution Coefficient, logD

-0.526

Water Solubility, LogSw

-1.37

Polar Surface Area

63.232

Acid Dissociation Constant (pKa)

24.33

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

S724-0191 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S724-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S724-0191?
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What is the minimum amount of S724-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S724-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S724-0191
  • 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 S724-0191 available by request