S724-1301 Screening compound: N-(cyclopropylmethyl)-1-{1-[3-(4-methoxyphenyl)propanoyl]azetidin-3-yl}-1H-1,2,3-triazole-4-carboxamide

S724-1301 Screening compound: N-(cyclopropylmethyl)-1-{1-[3-(4-methoxyphenyl)propanoyl]azetidin-3-yl}-1H-1,2,3-triazole-4-carboxamide
S724-1301 Screening compound: N-(cyclopropylmethyl)-1-{1-[3-(4-methoxyphenyl)propanoyl]azetidin-3-yl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S724-1301
N-(cyclopropylmethyl)-1-{1-[3-(4-methoxyphenyl)propanoyl]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

S724-1301

Molecular Formula

C20H25N5O3 (C20 H25 N5 O3)

Compound Name

N-(cyclopropylmethyl)-1-{1-[3-(4-methoxyphenyl)propanoyl]azetidin-3-yl}-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-(cyclopropylmethyl)-1-{1-[3-(4-methoxyphenyl)propanoyl]azetidin-3-yl}-1H-123-triazole-4-carboxamide

SMILES

COc1ccc(CCC(N(C2)CC2n2nnc(C(NCC3CC3)=O)c2)=O)cc1

InChI

InChI=1S/C20H25N5O3/c1-28-17-7-4-14(5-8-17)6-9-19(26)24-11-16(12-24)25-13-18(22-23-25)20(27)21-10-15-2-3-15/h4-5,7-8,13,15-16H,2-3,6,9-12H2,1H3,(H,21,27)

InChI Key

KBXKJDBVDSWYQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32226726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.460

Distribution Coefficient, logD

1.460

Water Solubility, LogSw

-1.93

Polar Surface Area

75.044

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S724-1301 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GABA Library (7115 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S724-1301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S724-1301?
Check Price and Availability of S724-1301, 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 S724-1301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S724-1301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S724-1301
  • 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 S724-1301 available by request