S941-0248 Screening compound: 1-{3-[(4-cyclopentyl-4H-1,2,4-triazol-3-yl)methyl]azetidin-1-yl}-3-(3-methoxyphenyl)propan-1-one

S941-0248 Screening compound: 1-{3-[(4-cyclopentyl-4H-1,2,4-triazol-3-yl)methyl]azetidin-1-yl}-3-(3-methoxyphenyl)propan-1-one
S941-0248 Screening compound: 1-{3-[(4-cyclopentyl-4H-1,2,4-triazol-3-yl)methyl]azetidin-1-yl}-3-(3-methoxyphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S941-0248
1-{3-[(4-cyclopentyl-4H-1,2,4-triazol-3-yl)methyl]azetidin-1-yl}-3-(3-methoxyphenyl)propan-1-one

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

S941-0248

Molecular Formula

C21H28N4O2 (C21 H28 N4 O2)

Compound Name

1-{3-[(4-cyclopentyl-4H-1,2,4-triazol-3-yl)methyl]azetidin-1-yl}-3-(3-methoxyphenyl)propan-1-one

IUPAC name

1-{3-[(4-cyclopentyl-4H-124-triazol-3-yl)methyl]azetidin-1-yl}-3-(3-methoxyphenyl)propan-1-one

SMILES

COc1cccc(CCC(N2CC(Cc3nncn3C3CCCC3)C2)=O)c1

InChI

InChI=1S/C21H28N4O2/c1-27-19-8-4-5-16(11-19)9-10-21(26)24-13-17(14-24)12-20-23-22-15-25(20)18-6-2-3-7-18/h4-5,8,11,15,17-18H,2-3,6-7,9-10,12-14H2,1H3

InChI Key

JZRIKUCMLHNXHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32228656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.743

Distribution Coefficient, logD

2.743

Water Solubility, LogSw

-2.96

Polar Surface Area

49.820

Acid Dissociation Constant (pKa)

18.72

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.14

S941-0248 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with S941-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S941-0248?
Check Price and Availability of S941-0248, 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 S941-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S941-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S941-0248
  • 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 S941-0248 available by request