K784-0033 Screening compound: 3-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide

K784-0033 Screening compound: 3-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide
K784-0033 Screening compound: 3-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-0033
3-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-4-fluoro-N-[2-(trifluoromethyl)phenyl]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

K784-0033

Molecular Formula

C26H25F4N3O3S (C26 H25 F4 N3 O3 S)

Compound Name

3-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide

IUPAC name

3-{[4-(25-dimethylphenyl)piperazin-1-yl]sulfonyl}-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide

SMILES

Cc1cc(N(CC2)CCN2S(c(cc(cc2)C(Nc3c(C(F)(F)F)cccc3)=O)c2F)(=O)=O)c(C)cc1

InChI

InChI=1S/C26H25F4N3O3S/c1-17-7-8-18(2)23(15-17)32-11-13-33(14-12-32)37(35,36)24-16-19(9-10-21(24)27)25(34)31-22-6-4-3-5-20(22)26(28,29)30/h3-10,15-16H,11-14H2,1-2H3,(H,31,34)

InChI Key

UOEAQBQZJAMCAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15096668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.917

Distribution Coefficient, logD

5.913

Water Solubility, LogSw

-5.48

Polar Surface Area

57.302

Acid Dissociation Constant (pKa)

9.37

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

K784-0033 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K784-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-0033?
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What is the minimum amount of K784-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-0033
  • 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 K784-0033 available by request