K400-07999 Screening compound: N-{[5-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide

K400-07999 Screening compound: N-{[5-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide
K400-07999 Screening compound: N-{[5-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K400-07999
N-{[5-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide

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

K400-07999

Molecular Formula

C27H26N6O6S (C27 H26 N6 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(CSc1nnc(CNC(COc2ccccc2)=O)n1-c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C27H26N6O6S/c1-2-38-23-14-8-19(9-15-23)29-26(35)18-40-27-31-30-24(32(27)20-10-12-21(13-11-20)33(36)37)16-28-25(34)17-39-22-6-4-3-5-7-22/h3-15H,2,16-18H2,1H3,(H,28,34)(H,29,35)

InChI Key

BCKXMRIGSRKMAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.61

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.752

Distribution Coefficient, logD

3.752

Water Solubility, LogSw

-3.88

Polar Surface Area

121.314

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with K400-07999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K400-07999?
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What is the minimum amount of K400-07999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K400-07999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K400-07999
  • 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 K400-07999 available by request