T396-0823 Screening compound: N-{6-[3-(4-fluorobenzyl)-2-oxo-1-imidazolidinyl]-3-pyridyl}-1,5-dimethyl-1H-pyrazole-3-carboxamide

T396-0823 Screening compound: N-{6-[3-(4-fluorobenzyl)-2-oxo-1-imidazolidinyl]-3-pyridyl}-1,5-dimethyl-1H-pyrazole-3-carboxamide
T396-0823 Screening compound: N-{6-[3-(4-fluorobenzyl)-2-oxo-1-imidazolidinyl]-3-pyridyl}-1,5-dimethyl-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T396-0823
N-{6-[3-(4-fluorobenzyl)-2-oxo-1-imidazolidinyl]-3-pyridyl}-1,5-dimethyl-1H-pyrazole-3-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

T396-0823

Molecular Formula

C21H21FN6O2 (C21 H21 FN6 O2)

Compound Name

N-{6-[3-(4-fluorobenzyl)-2-oxo-1-imidazolidinyl]-3-pyridyl}-1,5-dimethyl-1H-pyrazole-3-carboxamide

IUPAC name

N-(6-{3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl}pyridin-3-yl)-15-dimethyl-1H-pyrazole-3-carboxamide

SMILES

Cc1cc(C(Nc(cc2)cnc2N(CCN2Cc(cc3)ccc3F)C2=O)=O)nn1C

InChI

InChI=1S/C21H21FN6O2/c1-14-11-18(25-26(14)2)20(29)24-17-7-8-19(23-12-17)28-10-9-27(21(28)30)13-15-3-5-16(22)6-4-15/h3-8,11-12H,9-10,13H2,1-2H3,(H,24,29)

InChI Key

ZADCPQIRBLPYNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29023547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.44

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

2.439

Distribution Coefficient, logD

2.439

Water Solubility, LogSw

-2.83

Polar Surface Area

66.342

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

T396-0823 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with T396-0823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T396-0823?
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What is the minimum amount of T396-0823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T396-0823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T396-0823
  • 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 T396-0823 available by request