S937-0892 Screening compound: N-(3-fluoro-4-methoxyphenyl)-3-[3-(oxolan-2-yl)-4H-1,2,4-triazol-4-yl]azetidine-1-carboxamide

S937-0892 Screening compound: N-(3-fluoro-4-methoxyphenyl)-3-[3-(oxolan-2-yl)-4H-1,2,4-triazol-4-yl]azetidine-1-carboxamide
S937-0892 Screening compound: N-(3-fluoro-4-methoxyphenyl)-3-[3-(oxolan-2-yl)-4H-1,2,4-triazol-4-yl]azetidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S937-0892
N-(3-fluoro-4-methoxyphenyl)-3-[3-(oxolan-2-yl)-4H-1,2,4-triazol-4-yl]azetidine-1-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

S937-0892

Molecular Formula

C17H20FN5O3 (C17 H20 FN5 O3)

Compound Name

N-(3-fluoro-4-methoxyphenyl)-3-[3-(oxolan-2-yl)-4H-1,2,4-triazol-4-yl]azetidine-1-carboxamide

IUPAC name

N-(3-fluoro-4-methoxyphenyl)-3-[3-(oxolan-2-yl)-4H-124-triazol-4-yl]azetidine-1-carboxamide

SMILES

COc(ccc(NC(N(C1)CC1n1c(C2OCCC2)nnc1)=O)c1)c1F

InChI

InChI=1S/C17H20FN5O3/c1-25-14-5-4-11(7-13(14)18)20-17(24)22-8-12(9-22)23-10-19-21-16(23)15-3-2-6-26-15/h4-5,7,10,12,15H,2-3,6,8-9H2,1H3,(H,20,24)/t15-/m0/s1

InChI Key

UTHVUPUOLZLWLW-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD31994409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.969

Distribution Coefficient, logD

0.969

Water Solubility, LogSw

-2.00

Polar Surface Area

66.133

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

S937-0892 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S937-0892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S937-0892?
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What is the minimum amount of S937-0892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S937-0892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S937-0892
  • 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 S937-0892 available by request