K784-0031 Screening compound: 3-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide

K784-0031 Screening compound: 3-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide
K784-0031 Screening compound: 3-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-0031
3-{[4-(3-chlorophenyl)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

K784-0031

Molecular Formula

C24H20ClF4N3O3S (C24 H20 ClF4 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc(S(N(CC2)CCN2c2cccc(Cl)c2)(=O)=O)c1F)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C24H20ClF4N3O3S/c25-17-4-3-5-18(15-17)31-10-12-32(13-11-31)36(34,35)22-14-16(8-9-20(22)26)23(33)30-21-7-2-1-6-19(21)24(27,28)29/h1-9,14-15H,10-13H2,(H,30,33)

InChI Key

DTGXSDTYEZCTGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15096667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.95

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

5.343

Distribution Coefficient, logD

5.338

Water Solubility, LogSw

-5.89

Polar Surface Area

57.603

Acid Dissociation Constant (pKa)

9.37

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with K784-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-0031?
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What is the minimum amount of K784-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-0031
  • 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 K784-0031 available by request