K400-03443 Screening compound: 2,5-dichloro-N-{[4-(4-fluorophenyl)-5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}benzamide

K400-03443 Screening compound: 2,5-dichloro-N-{[4-(4-fluorophenyl)-5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}benzamide
K400-03443 Screening compound: 2,5-dichloro-N-{[4-(4-fluorophenyl)-5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K400-03443
2,5-dichloro-N-{[4-(4-fluorophenyl)-5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}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

K400-03443

Molecular Formula

C25H17Cl2F4N5O2S (C25 H17 Cl2 F4 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nnc(CNC(c(cc(cc2)Cl)c2Cl)=O)n1-c(cc1)ccc1F)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C25H17Cl2F4N5O2S/c26-14-5-10-19(27)17(11-14)23(38)32-12-21-34-35-24(36(21)16-8-6-15(28)7-9-16)39-13-22(37)33-20-4-2-1-3-18(20)25(29,30)31/h1-11H,12-13H2,(H,32,38)(H,33,37)

InChI Key

DNUVXVCPSUVWNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

598.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.670

Distribution Coefficient, logD

5.669

Water Solubility, LogSw

-5.96

Polar Surface Area

72.825

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

K400-03443 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K400-03443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K400-03443?
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What is the minimum amount of K400-03443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K400-03443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K400-03443
  • 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 K400-03443 available by request