C795-2278 Screening compound: N-(2-fluorophenyl)-2-({5-oxo-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-3-yl}sulfanyl)acetamide

C795-2278 Screening compound: N-(2-fluorophenyl)-2-({5-oxo-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-3-yl}sulfanyl)acetamide
C795-2278 Screening compound: N-(2-fluorophenyl)-2-({5-oxo-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-2278
N-(2-fluorophenyl)-2-({5-oxo-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-3-yl}sulfanyl)acetamide

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

C795-2278

Molecular Formula

C24H26FN5O3S (C24 H26 FN5 O3 S)

Compound Name

N-(2-fluorophenyl)-2-({5-oxo-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-3-yl}sulfanyl)acetamide

IUPAC name

N-(2-fluorophenyl)-2-({5-oxo-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4-phenyl-2345-tetrahydro-124-triazin-3-yl}sulfanyl)acetamide

SMILES

O=C(CSC(NN=C1CCC(N2CCCC2)=O)N(c2ccccc2)C1=O)Nc(cccc1)c1F

InChI

InChI=1S/C24H26FN5O3S/c25-18-10-4-5-11-19(18)26-21(31)16-34-24-28-27-20(12-13-22(32)29-14-6-7-15-29)23(33)30(24)17-8-2-1-3-9-17/h1-5,8-11,24,28H,6-7,12-16H2,(H,26,31)/t24-/m0/s1

InChI Key

CAZXPMOMZVICFJ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14797368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.460

Distribution Coefficient, logD

2.459

Water Solubility, LogSw

-2.77

Polar Surface Area

76.551

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C795-2278 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C795-2278 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C795-2278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-2278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-2278
  • 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 C795-2278 available by request