S724-0193 Screening compound: N,N-dimethyl-1-{1-[(3-methylphenyl)methyl]azetidin-3-yl}-1H-1,2,3-triazole-4-carboxamide

S724-0193 Screening compound: N,N-dimethyl-1-{1-[(3-methylphenyl)methyl]azetidin-3-yl}-1H-1,2,3-triazole-4-carboxamide
S724-0193 Screening compound: N,N-dimethyl-1-{1-[(3-methylphenyl)methyl]azetidin-3-yl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S724-0193
N,N-dimethyl-1-{1-[(3-methylphenyl)methyl]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

S724-0193

Molecular Formula

C16H21N5O (C16 H21 N5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(CN(C2)CC2n2nnc(C(N(C)C)=O)c2)c1

InChI

InChI=1S/C16H21N5O/c1-12-5-4-6-13(7-12)8-20-9-14(10-20)21-11-15(17-18-21)16(22)19(2)3/h4-7,11,14H,8-10H2,1-3H3

InChI Key

QIFALSIAYVXUNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31967802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.768

Distribution Coefficient, logD

-0.650

Water Solubility, LogSw

-1.33

Polar Surface Area

46.176

Acid Dissociation Constant (pKa)

24.33

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

S724-0193 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS MPO Library (28609 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Mimetics
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S724-0193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S724-0193?
Check Price and Availability of S724-0193, 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 S724-0193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S724-0193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S724-0193
  • 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 S724-0193 available by request