S383-1838 Screening compound: 3-[1-(2,5-difluorobenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one

S383-1838 Screening compound: 3-[1-(2,5-difluorobenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one
S383-1838 Screening compound: 3-[1-(2,5-difluorobenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S383-1838
3-[1-(2,5-difluorobenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-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

S383-1838

Molecular Formula

C22H22F2N4O3 (C22 H22 F2 N4 O3)

Compound Name

3-[1-(2,5-difluorobenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one

IUPAC name

3-[1-(25-difluorobenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-45-dihydro-1H-124-triazol-5-one

SMILES

COc1ccc(CN(C(C(CC2)CCN2C(c(cc(cc2)F)c2F)=O)=NN2)C2=O)cc1

InChI

InChI=1S/C22H22F2N4O3/c1-31-17-5-2-14(3-6-17)13-28-20(25-26-22(28)30)15-8-10-27(11-9-15)21(29)18-12-16(23)4-7-19(18)24/h2-7,12,15H,8-11,13H2,1H3,(H,26,30)

InChI Key

CPZGCUZGZOMBDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28976304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.741

Distribution Coefficient, logD

3.740

Water Solubility, LogSw

-3.93

Polar Surface Area

64.939

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

S383-1838 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S383-1838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S383-1838?
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What is the minimum amount of S383-1838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S383-1838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S383-1838
  • 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 S383-1838 available by request