G865-0010 Screening compound: 2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(difluoromethoxy)phenyl]ethan-1-one

G865-0010 Screening compound: 2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(difluoromethoxy)phenyl]ethan-1-one
G865-0010 Screening compound: 2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(difluoromethoxy)phenyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G865-0010
2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(difluoromethoxy)phenyl]ethan-1-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

G865-0010

Molecular Formula

C25H21F2N3O3S (C25 H21 F2 N3 O3 S)

Compound Name

2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(difluoromethoxy)phenyl]ethan-1-one

IUPAC name

2-{[4-benzyl-5-(phenoxymethyl)-4H-124-triazol-3-yl]sulfanyl}-1-[4-(difluoromethoxy)phenyl]ethan-1-one

SMILES

O=C(CSc1nnc(COc2ccccc2)n1Cc1ccccc1)c(cc1)ccc1OC(F)F

InChI

InChI=1S/C25H21F2N3O3S/c26-24(27)33-21-13-11-19(12-14-21)22(31)17-34-25-29-28-23(16-32-20-9-5-2-6-10-20)30(25)15-18-7-3-1-4-8-18/h1-14,24H,15-17H2

InChI Key

FIYGAARNQWXXCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04426577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.596

Distribution Coefficient, logD

4.596

Water Solubility, LogSw

-4.64

Polar Surface Area

52.296

Acid Dissociation Constant (pKa)

17.29

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

G865-0010 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G865-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G865-0010?
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What is the minimum amount of G865-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G865-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G865-0010
  • 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 G865-0010 available by request