6049-1055 Screening compound: 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-sulfanylideneethyl]sulfanyl}-6-(4-fluorophenyl)-4-(furan-2-yl)pyridine-3-carbonitrile

6049-1055 Screening compound: 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-sulfanylideneethyl]sulfanyl}-6-(4-fluorophenyl)-4-(furan-2-yl)pyridine-3-carbonitrile
6049-1055 Screening compound: 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-sulfanylideneethyl]sulfanyl}-6-(4-fluorophenyl)-4-(furan-2-yl)pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-1055
2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-sulfanylideneethyl]sulfanyl}-6-(4-fluorophenyl)-4-(furan-2-yl)pyridine-3-carbonitrile

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

6049-1055

Molecular Formula

C23H17FN4OS2 (C23 H17 FN4 OS2)

Compound Name

2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-sulfanylideneethyl]sulfanyl}-6-(4-fluorophenyl)-4-(furan-2-yl)pyridine-3-carbonitrile

IUPAC name

2-{[2-(35-dimethyl-1H-pyrazol-1-yl)-2-sulfanylideneethyl]sulfanyl}-6-(4-fluorophenyl)-4-(furan-2-yl)pyridine-3-carbonitrile

SMILES

Cc1cc(C)nn1C(CSc1nc(-c(cc2)ccc2F)cc(-c2ccco2)c1C#N)=S

InChI

InChI=1S/C23H17FN4OS2/c1-14-10-15(2)28(27-14)22(30)13-31-23-19(12-25)18(21-4-3-9-29-21)11-20(26-23)16-5-7-17(24)8-6-16/h3-11H,13H2,1-2H3

InChI Key

DXRXXSCDZSCKLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01450556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.290

Distribution Coefficient, logD

5.288

Water Solubility, LogSw

-5.52

Polar Surface Area

46.409

Acid Dissociation Constant (pKa)

16.86

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

6049-1055 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6049-1055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-1055?
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What is the minimum amount of 6049-1055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-1055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-1055
  • 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 6049-1055 available by request