8009-9977 Screening compound: 2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-5-nitropyridine

8009-9977 Screening compound: 2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-5-nitropyridine
8009-9977 Screening compound: 2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-5-nitropyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9977
2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-5-nitropyridine

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

8009-9977

Molecular Formula

C24H23N5O3S (C24 H23 N5 O3 S)

Compound Name

2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-5-nitropyridine

IUPAC name

2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-124-triazol-3-yl}sulfanyl)-5-nitropyridine

SMILES

CC(C)(C)c(cc1)ccc1OCc(n1-c2ccccc2)nnc1Sc(cc1)ncc1[N+]([O-])=O

InChI

InChI=1S/C24H23N5O3S/c1-24(2,3)17-9-12-20(13-10-17)32-16-21-26-27-23(28(21)18-7-5-4-6-8-18)33-22-14-11-19(15-25-22)29(30)31/h4-15H,16H2,1-3H3

InChI Key

YFPYLPGHKFDPSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01899649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.755

Distribution Coefficient, logD

5.755

Water Solubility, LogSw

-5.54

Polar Surface Area

75.068

Acid Dissociation Constant (pKa)

29.52

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

8009-9977 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8009-9977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9977?
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What is the minimum amount of 8009-9977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9977
  • 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 8009-9977 available by request