K400-04983 Screening compound: N-{[4-(4-fluorophenyl)-5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide

K400-04983 Screening compound: N-{[4-(4-fluorophenyl)-5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide
K400-04983 Screening compound: N-{[4-(4-fluorophenyl)-5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K400-04983
N-{[4-(4-fluorophenyl)-5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide

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

K400-04983

Molecular Formula

C26H20F4N6O4S (C26 H20 F4 N6 O4 S)

Compound Name

N-{[4-(4-fluorophenyl)-5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide

IUPAC name

N-{[4-(4-fluorophenyl)-5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4H-124-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide

SMILES

Cc(ccc(C(NCc(n1-c(cc2)ccc2F)nnc1SCC(Nc1c(C(F)(F)F)cccc1)=O)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C26H20F4N6O4S/c1-15-6-7-16(12-21(15)36(39)40)24(38)31-13-22-33-34-25(35(22)18-10-8-17(27)9-11-18)41-14-23(37)32-20-5-3-2-4-19(20)26(28,29)30/h2-12H,13-14H2,1H3,(H,31,38)(H,32,37)

InChI Key

HUEOGPJOVUDLHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

588.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.487

Distribution Coefficient, logD

4.486

Water Solubility, LogSw

-4.41

Polar Surface Area

105.906

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

K400-04983 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K400-04983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K400-04983?
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What is the minimum amount of K400-04983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K400-04983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K400-04983
  • 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 K400-04983 available by request