K400-03815 Screening compound: N-{[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide

K400-03815 Screening compound: N-{[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide
K400-03815 Screening compound: N-{[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K400-03815
N-{[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-(4-nitrophenyl)-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

K400-03815

Molecular Formula

C26H21F3N6O5S (C26 H21 F3 N6 O5 S)

Compound Name

N-{[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide

IUPAC name

N-{[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-(4-nitrophenyl)-4H-124-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide

SMILES

COc(cc1)ccc1NC(CSc1nnc(CNC(c2c(C(F)(F)F)cccc2)=O)n1-c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C26H21F3N6O5S/c1-40-19-12-6-16(7-13-19)31-23(36)15-41-25-33-32-22(34(25)17-8-10-18(11-9-17)35(38)39)14-30-24(37)20-4-2-3-5-21(20)26(27,28)29/h2-13H,14-15H2,1H3,(H,30,37)(H,31,36)

InChI Key

FYKHQWWMSHNISD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.173

Distribution Coefficient, logD

4.156

Water Solubility, LogSw

-4.42

Polar Surface Area

114.448

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with K400-03815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K400-03815?
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What is the minimum amount of K400-03815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K400-03815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K400-03815
  • 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 K400-03815 available by request