K400-03857 Screening compound: N-{[4-(4-bromophenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide

K400-03857 Screening compound: N-{[4-(4-bromophenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide
K400-03857 Screening compound: N-{[4-(4-bromophenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K400-03857
N-{[4-(4-bromophenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide

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

K400-03857

Molecular Formula

C25H18BrF3N4O2S (C25 H18 BrF3 N4 O2 S)

Compound Name

N-{[4-(4-bromophenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide

IUPAC name

N-{[4-(4-bromophenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-124-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide

SMILES

O=C(CSc1nnc(CNC(c2c(C(F)(F)F)cccc2)=O)n1-c(cc1)ccc1Br)c1ccccc1

InChI

InChI=1S/C25H18BrF3N4O2S/c26-17-10-12-18(13-11-17)33-22(14-30-23(35)19-8-4-5-9-20(19)25(27,28)29)31-32-24(33)36-15-21(34)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,30,35)

InChI Key

HLEUMSJBZRWLEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

575.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.121

Distribution Coefficient, logD

5.104

Water Solubility, LogSw

-5.34

Polar Surface Area

63.621

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with K400-03857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K400-03857?
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What is the minimum amount of K400-03857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K400-03857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K400-03857
  • 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 K400-03857 available by request