G865-0019 Screening compound: 2-{[5-(4-bromophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)propan-1-one

G865-0019 Screening compound: 2-{[5-(4-bromophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)propan-1-one
G865-0019 Screening compound: 2-{[5-(4-bromophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G865-0019
2-{[5-(4-bromophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)propan-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

G865-0019

Molecular Formula

C25H22BrN3O2S (C25 H22 BrN3 O2 S)

Compound Name

2-{[5-(4-bromophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)propan-1-one

IUPAC name

2-{[5-(4-bromophenyl)-4-(3-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)propan-1-one

SMILES

CC(C(c(cc1)ccc1OC)=O)Sc1nnc(-c(cc2)ccc2Br)n1-c1cc(C)ccc1

InChI

InChI=1S/C25H22BrN3O2S/c1-16-5-4-6-21(15-16)29-24(19-7-11-20(26)12-8-19)27-28-25(29)32-17(2)23(30)18-9-13-22(31-3)14-10-18/h4-15,17H,1-3H3/t17-/m0/s1

InChI Key

SZLZRYKDQHHVQI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03088121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.843

Distribution Coefficient, logD

6.843

Water Solubility, LogSw

-5.70

Polar Surface Area

45.995

Acid Dissociation Constant (pKa)

15.05

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with G865-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G865-0019?
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What is the minimum amount of G865-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G865-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G865-0019
  • 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 G865-0019 available by request